N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine

C17H34N2 — CID 63623409

IUPACN-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN1CCCC(C)CC1
InChIInChI=1S/C17H34N2/c1-3-18-17-10-6-4-5-9-16(17)14-19-12-7-8-15(2)11-13-19/h15-18H,3-14H2,1-2H3
InChIKeyVXDHDSBXZKLNOC-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds4

About N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine

N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine (PubChem CID 63623409) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
PubChem CID63623409
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN1CCCC(C)CC1
InChIInChI=1S/C17H34N2/c1-3-18-17-10-6-4-5-9-16(17)14-19-12-7-8-15(2)11-13-19/h15-18H,3-14H2,1-2H3
InChIKeyVXDHDSBXZKLNOC-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclopentan-1-amine
CID 63623587
2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63624498
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62610035
1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol
CID 62941371
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 63495679
2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol
CID 62614980
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 55094714
2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 63495462
1-[[2-(ethylamino)cyclopentyl]methyl]-3-methylpiperidin-4-ol
CID 114681897
2-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 62616382

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine (CID 63623409) is N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine is CCNC1CCCCCC1CN1CCCC(C)CC1.
What is the InChIKey of N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine?
The InChIKey is VXDHDSBXZKLNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-18-17-10-6-4-5-9-16(17)14-19-12-7-8-15(2)11-13-19/h15-18H,3-14H2,1-2H3.
What are the key properties of N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine?
N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 63623409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).