(2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide

C14H30N6O — CID 138741981

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
SMILESCC(C)N1CCC(NC(=O)[C@@H](N)CCCN=C(N)N)CC1
InChIInChI=1S/C14H30N6O/c1-10(2)20-8-5-11(6-9-20)19-13(21)12(15)4-3-7-18-14(16)17/h10-12H,3-9,15H2,1-2H3,(H,19,21)(H4,16,17,18)/t12-/m0/s1
InChIKeyWCYYBOXUDDWEBF-LBPRGKRZSA-N
MW298.44 g/mol
LogP-0.64
Rot. Bonds7

About (2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide

(2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide (PubChem CID 138741981) has the molecular formula C14H30N6O and a molecular weight of 298.44 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
PubChem CID138741981
Molecular FormulaC14H30N6O
Molecular Weight298.44 g/mol
Exact Mass298.25
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
SMILESCC(C)N1CCC(NC(=O)[C@@H](N)CCCN=C(N)N)CC1
InChIInChI=1S/C14H30N6O/c1-10(2)20-8-5-11(6-9-20)19-13(21)12(15)4-3-7-18-14(16)17/h10-12H,3-9,15H2,1-2H3,(H,19,21)(H4,16,17,18)/t12-/m0/s1
InChIKeyWCYYBOXUDDWEBF-LBPRGKRZSA-N
XLogP-0.64
TPSA122.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 79024824
[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]urea
CID 54323460
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
2-(aminomethyl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 65224886
2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane
CID 178063021
acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid
CID 87289489
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
(1-propan-2-ylpyrrolidin-3-yl)urea
CID 72571919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide (CID 138741981) is (2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide is CC(C)N1CCC(NC(=O)[C@@H](N)CCCN=C(N)N)CC1.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
The InChIKey is WCYYBOXUDDWEBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H30N6O/c1-10(2)20-8-5-11(6-9-20)19-13(21)12(15)4-3-7-18-14(16)17/h10-12H,3-9,15H2,1-2H3,(H,19,21)(H4,16,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
(2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide has a molecular weight of 298.44 g/mol, XLogP of -0.64, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 138741981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).