(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide

C14H26N2O — CID 113304824

IUPAC(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C14H26N2O/c1-2-3-4-13(15)14(17)16(9-11-5-6-11)10-12-7-8-12/h11-13H,2-10,15H2,1H3/t13-/m0/s1
InChIKeyMMCNFUUGPMORNL-ZDUSSCGKSA-N
MW238.37 g/mol
LogP2.15
Rot. Bonds8

About (2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide

(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide (PubChem CID 113304824) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide
PubChem CID113304824
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C14H26N2O/c1-2-3-4-13(15)14(17)16(9-11-5-6-11)10-12-7-8-12/h11-13H,2-10,15H2,1H3/t13-/m0/s1
InChIKeyMMCNFUUGPMORNL-ZDUSSCGKSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869519
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide
CID 54874277
(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 103831500
2-amino-N-(cyclohexylmethyl)-N-propylpentanamide;hydrochloride
CID 119302235
(2S)-2-amino-N-cyclopropyl-N-propylhexanamide
CID 103950188
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 79022935
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-methylpentanamide
CID 63954154
(2S)-2-amino-N-cyclopentyl-N-methylhexanamide
CID 103831134
(2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide
CID 79012331
(2S)-2-amino-N-cyclopropyl-N-(2-hydroxyethyl)hexanamide
CID 103951026
2-amino-N-(cyclobutylmethyl)-N-ethyl-4-methoxybutanamide
CID 107398526

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide?
The IUPAC name of (2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide (CID 113304824) is (2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide is CCCC[C@H](N)C(=O)N(CC1CC1)CC1CC1.
What is the InChIKey of (2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide?
The InChIKey is MMCNFUUGPMORNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-3-4-13(15)14(17)16(9-11-5-6-11)10-12-7-8-12/h11-13H,2-10,15H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide?
(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide has a molecular weight of 238.37 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide is sourced from PubChem (CID 113304824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).