3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine

C14H29NO — CID 115909205

IUPAC3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine
SMILESCOC(C)C(C)NCC1(C)CCCCCC1
InChIInChI=1S/C14H29NO/c1-12(13(2)16-4)15-11-14(3)9-7-5-6-8-10-14/h12-13,15H,5-11H2,1-4H3
InChIKeyVFNVQGMUUOQHTL-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds5

About 3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine

3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine (PubChem CID 115909205) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine
PubChem CID115909205
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine
SMILESCOC(C)C(C)NCC1(C)CCCCCC1
InChIInChI=1S/C14H29NO/c1-12(13(2)16-4)15-11-14(3)9-7-5-6-8-10-14/h12-13,15H,5-11H2,1-4H3
InChIKeyVFNVQGMUUOQHTL-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-3,3-dimethylcyclohexan-1-amine
CID 64468633
4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 65088498
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 65089983
3-[(4,4-Dimethylcycloheptyl)amino]-1,1,1-trifluoropropan-2-ol
CID 105643253
3-[(4,4-Dimethylcycloheptyl)amino]-1,1-difluoropropan-2-ol
CID 105644111
N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylcycloheptan-1-amine
CID 105905561
4-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cycloheptan-1-amine
CID 105906029
N-(2-methoxyethyl)-2-methylnonan-4-amine
CID 60076240
N-(2-methoxyethyl)-2-methyloctan-4-amine
CID 60076281
N-(2-methoxyethyl)-4,4-dimethylcyclohexan-1-amine
CID 64415863
2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine
CID 134480060
N-ethyl-4-methoxy-2,6-dimethylheptan-3-amine
CID 140101349

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine?
The IUPAC name of 3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine (CID 115909205) is 3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine?
The canonical SMILES for 3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine is COC(C)C(C)NCC1(C)CCCCCC1.
What is the InChIKey of 3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine?
The InChIKey is VFNVQGMUUOQHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(13(2)16-4)15-11-14(3)9-7-5-6-8-10-14/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine?
3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine is sourced from PubChem (CID 115909205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).