(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide

C14H31N3O — CID 175614226

IUPAC(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
SMILESCNCCCC[C@@H](N)C(=O)NCCCCC(C)C
InChIInChI=1S/C14H31N3O/c1-12(2)8-4-7-11-17-14(18)13(15)9-5-6-10-16-3/h12-13,16H,4-11,15H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyKKUGBTFPHSMSSF-CYBMUJFWSA-N
MW257.42 g/mol
LogP1.65
Rot. Bonds11

About (2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide

(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide (PubChem CID 175614226) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is (2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide.

Molecular Properties

Compound Name(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
PubChem CID175614226
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
SMILESCNCCCC[C@@H](N)C(=O)NCCCCC(C)C
InChIInChI=1S/C14H31N3O/c1-12(2)8-4-7-11-17-14(18)13(15)9-5-6-10-16-3/h12-13,16H,4-11,15H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyKKUGBTFPHSMSSF-CYBMUJFWSA-N
XLogP1.65
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide
CID 104908132
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
(2S)-2-amino-5-(methylamino)-N-(2-sulfanylethyl)pentanamide;ethane
CID 144745680
(2S)-6-[[(2R)-2-amino-5-(methylamino)pentanoyl]amino]-N-[(2S)-2,5-bis(methylamino)pentyl]-2-(methylamino)hexanamide
CID 59839919
(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
CID 61158173
2-amino-3-[[2-amino-3-(15-methylhexadecylamino)-3-oxopropyl]disulfanyl]propanamide
CID 123584235
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
2-amino-6-(carbamoylamino)-N-methylhexanamide
CID 137464971

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide?
The IUPAC name of (2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide (CID 175614226) is (2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide.
What is the SMILES notation for (2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide?
The canonical SMILES for (2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide is CNCCCC[C@@H](N)C(=O)NCCCCC(C)C.
What is the InChIKey of (2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide?
The InChIKey is KKUGBTFPHSMSSF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H31N3O/c1-12(2)8-4-7-11-17-14(18)13(15)9-5-6-10-16-3/h12-13,16H,4-11,15H2,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide?
(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide has a molecular weight of 257.42 g/mol, XLogP of 1.65, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide is sourced from PubChem (CID 175614226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).