N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine

C19H37N — CID 65091288

IUPACN-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC1CCCC(CCNC2CCCC(C(C)C)CC2)C1
InChIInChI=1S/C19H37N/c1-15(2)18-8-5-9-19(11-10-18)20-13-12-17-7-4-6-16(3)14-17/h15-20H,4-14H2,1-3H3
InChIKeyXVYAXOIFHZCYQD-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.40
Rot. Bonds5

About N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine

N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091288) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091288
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC1CCCC(CCNC2CCCC(C(C)C)CC2)C1
InChIInChI=1S/C19H37N/c1-15(2)18-8-5-9-19(11-10-18)20-13-12-17-7-4-6-16(3)14-17/h15-20H,4-14H2,1-3H3
InChIKeyXVYAXOIFHZCYQD-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol
CID 106594675
3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine
CID 64753022
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine
CID 107907027
(2S)-1-[2-(3-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932149
1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine
CID 102869604
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448828
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 65091618
N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
CID 115756514
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine (CID 65091288) is N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine is CC1CCCC(CCNC2CCCC(C(C)C)CC2)C1.
What is the InChIKey of N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is XVYAXOIFHZCYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-15(2)18-8-5-9-19(11-10-18)20-13-12-17-7-4-6-16(3)14-17/h15-20H,4-14H2,1-3H3.
What are the key properties of N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).