heptyl 1-amino-4-methylcyclohexane-1-carboxylate

C15H29NO2 — CID 61302079

IUPACheptyl 1-amino-4-methylcyclohexane-1-carboxylate
SMILESCCCCCCCOC(=O)C1(N)CCC(C)CC1
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-7-12-18-14(17)15(16)10-8-13(2)9-11-15/h13H,3-12,16H2,1-2H3
InChIKeyFBAWMQGMXDOIMD-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.41
Rot. Bonds7

About heptyl 1-amino-4-methylcyclohexane-1-carboxylate

heptyl 1-amino-4-methylcyclohexane-1-carboxylate (PubChem CID 61302079) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is heptyl 1-amino-4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameheptyl 1-amino-4-methylcyclohexane-1-carboxylate
PubChem CID61302079
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameheptyl 1-amino-4-methylcyclohexane-1-carboxylate
SMILESCCCCCCCOC(=O)C1(N)CCC(C)CC1
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-7-12-18-14(17)15(16)10-8-13(2)9-11-15/h13H,3-12,16H2,1-2H3
InChIKeyFBAWMQGMXDOIMD-UHFFFAOYSA-N
XLogP3.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 155387692
octyl 1-aminocyclohexane-1-carboxylate
CID 61303894
hexyl 1-aminocyclohexane-1-carboxylate
CID 61301911
3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 103403497
octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 22766540
hexyl 1-tert-butyl-2-methylcyclobutane-1-carboxylate
CID 67522932
butyl 1-amino-3-methoxycyclohexane-1-carboxylate
CID 151543053
1-hexoxycarbonylcyclopropane-1-carboxylic acid
CID 90449499
octyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451044
dioctyl 1,2-dimethylcyclohexane-1,2-dicarboxylate
CID 175527356
1-O-heptyl 1-O'-nonyl cyclohexane-1,1-dicarboxylate
CID 122459033
1-O'-decyl 1-O-octyl cyclohexane-1,1-dicarboxylate
CID 122459034

Frequently Asked Questions

What is the IUPAC name of heptyl 1-amino-4-methylcyclohexane-1-carboxylate?
The IUPAC name of heptyl 1-amino-4-methylcyclohexane-1-carboxylate (CID 61302079) is heptyl 1-amino-4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for heptyl 1-amino-4-methylcyclohexane-1-carboxylate?
The canonical SMILES for heptyl 1-amino-4-methylcyclohexane-1-carboxylate is CCCCCCCOC(=O)C1(N)CCC(C)CC1.
What is the InChIKey of heptyl 1-amino-4-methylcyclohexane-1-carboxylate?
The InChIKey is FBAWMQGMXDOIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-4-5-6-7-12-18-14(17)15(16)10-8-13(2)9-11-15/h13H,3-12,16H2,1-2H3.
What are the key properties of heptyl 1-amino-4-methylcyclohexane-1-carboxylate?
heptyl 1-amino-4-methylcyclohexane-1-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 1-amino-4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 61302079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).