N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide

C14H27NO — CID 97027522

IUPACN-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide
SMILESCCCCC[C@@H](C)NC(=O)C1(C)CCCC1
InChIInChI=1S/C14H27NO/c1-4-5-6-9-12(2)15-13(16)14(3)10-7-8-11-14/h12H,4-11H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyHQDAJXVJEDCDEC-GFCCVEGCSA-N
MW225.38 g/mol
LogP3.65
Rot. Bonds6

About N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide

N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide (PubChem CID 97027522) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide
PubChem CID97027522
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide
SMILESCCCCC[C@@H](C)NC(=O)C1(C)CCCC1
InChIInChI=1S/C14H27NO/c1-4-5-6-9-12(2)15-13(16)14(3)10-7-8-11-14/h12H,4-11H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyHQDAJXVJEDCDEC-GFCCVEGCSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide
CID 165121512
N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide
CID 115283457
1-amino-N-heptan-2-ylcyclobutane-1-carboxamide
CID 81179948
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 130609704
1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide
CID 80587125
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 130609703
N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829026
3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
CID 63130413
1-[2-(heptan-2-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43578366
N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829061
1-methyl-N-pent-4-yn-2-ylcyclobutane-1-carboxamide
CID 131201588
1-carbamothioyl-N-octan-2-ylcyclobutane-1-carboxamide
CID 80589555

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide (CID 97027522) is N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide is CCCCC[C@@H](C)NC(=O)C1(C)CCCC1.
What is the InChIKey of N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is HQDAJXVJEDCDEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-6-9-12(2)15-13(16)14(3)10-7-8-11-14/h12H,4-11H2,1-3H3,(H,15,16)/t12-/m1/s1.
What are the key properties of N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide?
N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 225.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-heptan-2-yl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 97027522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).