2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide

C14H29N3O — CID 88961019

IUPAC2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide
SMILESC=C(C)[C@H](CCCCN)NC(=O)C(N)C(C)CC
InChIInChI=1S/C14H29N3O/c1-5-11(4)13(16)14(18)17-12(10(2)3)8-6-7-9-15/h11-13H,2,5-9,15-16H2,1,3-4H3,(H,17,18)/t11?,12-,13?/m0/s1
InChIKeyHAGLCWTXNZTPFI-CPCZMJQVSA-N
MW255.41 g/mol
LogP1.55
Rot. Bonds9

About 2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide

2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide (PubChem CID 88961019) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide
PubChem CID88961019
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide
SMILESC=C(C)[C@H](CCCCN)NC(=O)C(N)C(C)CC
InChIInChI=1S/C14H29N3O/c1-5-11(4)13(16)14(18)17-12(10(2)3)8-6-7-9-15/h11-13H,2,5-9,15-16H2,1,3-4H3,(H,17,18)/t11?,12-,13?/m0/s1
InChIKeyHAGLCWTXNZTPFI-CPCZMJQVSA-N
XLogP1.55
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide (CID 88961019) is 2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide is C=C(C)[C@H](CCCCN)NC(=O)C(N)C(C)CC.
What is the InChIKey of 2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide?
The InChIKey is HAGLCWTXNZTPFI-CPCZMJQVSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-11(4)13(16)14(18)17-12(10(2)3)8-6-7-9-15/h11-13H,2,5-9,15-16H2,1,3-4H3,(H,17,18)/t11?,12-,13?/m0/s1.
What are the key properties of 2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide?
2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide has a molecular weight of 255.41 g/mol, XLogP of 1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S)-7-amino-2-methylhept-1-en-3-yl]-3-methylpentanamide is sourced from PubChem (CID 88961019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).