(2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide

C15H25N5O — CID 139896055

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide
SMILESCC(C)(NC(=O)[C@@H](N)CCCN=C(N)N)c1ccccc1
InChIInChI=1S/C15H25N5O/c1-15(2,11-7-4-3-5-8-11)20-13(21)12(16)9-6-10-19-14(17)18/h3-5,7-8,12H,6,9-10,16H2,1-2H3,(H,20,21)(H4,17,18,19)/t12-/m0/s1
InChIKeyLZCRZDVYRVSEDP-LBPRGKRZSA-N
MW291.40 g/mol
LogP0.42
Rot. Bonds7

About (2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide

(2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide (PubChem CID 139896055) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide
PubChem CID139896055
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide
SMILESCC(C)(NC(=O)[C@@H](N)CCCN=C(N)N)c1ccccc1
InChIInChI=1S/C15H25N5O/c1-15(2,11-7-4-3-5-8-11)20-13(21)12(16)9-6-10-19-14(17)18/h3-5,7-8,12H,6,9-10,16H2,1-2H3,(H,20,21)(H4,17,18,19)/t12-/m0/s1
InChIKeyLZCRZDVYRVSEDP-LBPRGKRZSA-N
XLogP0.42
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide
CID 70140862
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride
CID 141009397
(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide
CID 114264096
2-amino-N-(benzenesulfinyl)-5-(diaminomethylideneamino)pentanamide
CID 134416273
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-4-phenylbutanoic acid
CID 138596629
2-amino-5-(diaminomethylideneamino)-N-[2,6-di(propan-2-yl)phenyl]pentanamide
CID 18473219
(4S)-4-amino-5-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 25031117
(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2R,3R)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide
CID 175262539
phenyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 139830278
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]-2-methylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoic acid
CID 175859947
2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;benzoic acid
CID 25156493
(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 6427031

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide (CID 139896055) is (2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide is CC(C)(NC(=O)[C@@H](N)CCCN=C(N)N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide?
The InChIKey is LZCRZDVYRVSEDP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N5O/c1-15(2,11-7-4-3-5-8-11)20-13(21)12(16)9-6-10-19-14(17)18/h3-5,7-8,12H,6,9-10,16H2,1-2H3,(H,20,21)(H4,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide?
(2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide has a molecular weight of 291.40 g/mol, XLogP of 0.42, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide is sourced from PubChem (CID 139896055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).