(2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide

C10H19N3O2 — CID 20633708

IUPAC(2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide
SMILESC=C(C)C(=O)NC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C10H19N3O2/c1-7(2)9(14)13-10(15)8(12)5-3-4-6-11/h8H,1,3-6,11-12H2,2H3,(H,13,14,15)/t8-/m0/s1
InChIKeyBMDRIDPUVPEIDJ-QMMMGPOBSA-N
MW213.28 g/mol
LogP-0.34
Rot. Bonds6

About (2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide

(2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide (PubChem CID 20633708) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide
PubChem CID20633708
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide
SMILESC=C(C)C(=O)NC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C10H19N3O2/c1-7(2)9(14)13-10(15)8(12)5-3-4-6-11/h8H,1,3-6,11-12H2,2H3,(H,13,14,15)/t8-/m0/s1
InChIKeyBMDRIDPUVPEIDJ-QMMMGPOBSA-N
XLogP-0.34
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide (CID 20633708) is (2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide is C=C(C)C(=O)NC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide?
The InChIKey is BMDRIDPUVPEIDJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(2)9(14)13-10(15)8(12)5-3-4-6-11/h8H,1,3-6,11-12H2,2H3,(H,13,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide?
(2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide has a molecular weight of 213.28 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide is sourced from PubChem (CID 20633708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).