(2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide

C14H30N4O — CID 146587303

IUPAC(2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide
SMILESCC(C)C[C@@H](C(=O)NCCCCN=C(N)N)C(C)C
InChIInChI=1S/C14H30N4O/c1-10(2)9-12(11(3)4)13(19)17-7-5-6-8-18-14(15)16/h10-12H,5-9H2,1-4H3,(H,17,19)(H4,15,16,18)/t12-/m1/s1
InChIKeyDXSCCLLJNWXIER-GFCCVEGCSA-N
MW270.42 g/mol
LogP1.47
Rot. Bonds9

About (2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide

(2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide (PubChem CID 146587303) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is (2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide.

Molecular Properties

Compound Name(2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide
PubChem CID146587303
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name(2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide
SMILESCC(C)C[C@@H](C(=O)NCCCCN=C(N)N)C(C)C
InChIInChI=1S/C14H30N4O/c1-10(2)9-12(11(3)4)13(19)17-7-5-6-8-18-14(15)16/h10-12H,5-9H2,1-4H3,(H,17,19)(H4,15,16,18)/t12-/m1/s1
InChIKeyDXSCCLLJNWXIER-GFCCVEGCSA-N
XLogP1.47
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N-(2-aminoethyl)-4-methyl-2-propan-2-ylpentanamide
CID 118593084
N-[3-(diaminomethylideneamino)propyl]-2-methylbutanamide
CID 59360329
N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide
CID 130379782
trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium
CID 87523396
(2S)-2-acetamido-5-(diaminomethylideneamino)-N-[1-[[(2S)-5-(diaminomethylideneamino)-1-[4-(diaminomethylideneamino)butylamino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide
CID 58560066
(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
CID 141439784
N-[4-(3-aminobutylamino)butyl]-N'-[8-(diaminomethylideneamino)octyl]-2-hydroxypropanediamide
CID 19043112
(2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide
CID 174197575
acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide
CID 146429799
(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]-4-methylpentanamide
CID 46882494
2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide
CID 155310394

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide?
The IUPAC name of (2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide (CID 146587303) is (2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide.
What is the SMILES notation for (2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide?
The canonical SMILES for (2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide is CC(C)C[C@@H](C(=O)NCCCCN=C(N)N)C(C)C.
What is the InChIKey of (2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide?
The InChIKey is DXSCCLLJNWXIER-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H30N4O/c1-10(2)9-12(11(3)4)13(19)17-7-5-6-8-18-14(15)16/h10-12H,5-9H2,1-4H3,(H,17,19)(H4,15,16,18)/t12-/m1/s1.
What are the key properties of (2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide?
(2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide has a molecular weight of 270.42 g/mol, XLogP of 1.47, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide is sourced from PubChem (CID 146587303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).