N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine

C15H31N — CID 79298525

IUPACN-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
SMILESCCNC(C(C)C)C1CCCC(CC)CC1
InChIInChI=1S/C15H31N/c1-5-13-8-7-9-14(11-10-13)15(12(3)4)16-6-2/h12-16H,5-11H2,1-4H3
InChIKeyWOHSDCIGXUPIER-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds5

About N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine

N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine (PubChem CID 79298525) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
PubChem CID79298525
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
SMILESCCNC(C(C)C)C1CCCC(CC)CC1
InChIInChI=1S/C15H31N/c1-5-13-8-7-9-14(11-10-13)15(12(3)4)16-6-2/h12-16H,5-11H2,1-4H3
InChIKeyWOHSDCIGXUPIER-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(4-ethylcyclohexyl)-2-methylbutan-1-amine
CID 64775258
N-ethyl-1-(4-ethylcyclohexyl)-2,2-difluoroethanamine
CID 103759876
1-(1-bromo-2-methylpropyl)-4-ethylcycloheptane
CID 79298349
1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298507
N-[cycloheptyl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65399653
1-cyclohexyl-2-cyclopropyl-N-ethylpropan-1-amine
CID 114981084
N-ethyl-1-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 64776246
1-(3-ethylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65394157
1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104990778
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine
CID 105078063
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine (CID 79298525) is N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine is CCNC(C(C)C)C1CCCC(CC)CC1.
What is the InChIKey of N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine?
The InChIKey is WOHSDCIGXUPIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-13-8-7-9-14(11-10-13)15(12(3)4)16-6-2/h12-16H,5-11H2,1-4H3.
What are the key properties of N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine?
N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine is sourced from PubChem (CID 79298525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).