(2S)-2-amino-4-methyl-N,N-dipentylpentanamide

C16H34N2O — CID 61164908

IUPAC(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
SMILESCCCCCN(CCCCC)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C16H34N2O/c1-5-7-9-11-18(12-10-8-6-2)16(19)15(17)13-14(3)4/h14-15H,5-13,17H2,1-4H3/t15-/m0/s1
InChIKeyKIVZDDXHBSGMIU-HNNXBMFYSA-N
MW270.46 g/mol
LogP3.57
Rot. Bonds11

About (2S)-2-amino-4-methyl-N,N-dipentylpentanamide

(2S)-2-amino-4-methyl-N,N-dipentylpentanamide (PubChem CID 61164908) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N,N-dipentylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
PubChem CID61164908
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
SMILESCCCCCN(CCCCC)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C16H34N2O/c1-5-7-9-11-18(12-10-8-6-2)16(19)15(17)13-14(3)4/h14-15H,5-13,17H2,1-4H3/t15-/m0/s1
InChIKeyKIVZDDXHBSGMIU-HNNXBMFYSA-N
XLogP3.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
CID 104903090
(2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide
CID 61164222
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
2-amino-N,N-dihexylpropanamide
CID 54872127
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992753
(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102993062
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide
CID 104907780
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide
CID 61158178
(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide
CID 104903070

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N,N-dipentylpentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N,N-dipentylpentanamide (CID 61164908) is (2S)-2-amino-4-methyl-N,N-dipentylpentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N,N-dipentylpentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N,N-dipentylpentanamide is CCCCCN(CCCCC)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N,N-dipentylpentanamide?
The InChIKey is KIVZDDXHBSGMIU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-7-9-11-18(12-10-8-6-2)16(19)15(17)13-14(3)4/h14-15H,5-13,17H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N,N-dipentylpentanamide?
(2S)-2-amino-4-methyl-N,N-dipentylpentanamide has a molecular weight of 270.46 g/mol, XLogP of 3.57, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N,N-dipentylpentanamide is sourced from PubChem (CID 61164908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).