[1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol

C18H29NO — CID 65090266

IUPAC[1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol
SMILESCC(C)C1CCCC(CO)(NCc2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-15(2)17-9-6-11-18(14-20,12-10-17)19-13-16-7-4-3-5-8-16/h3-5,7-8,15,17,19-20H,6,9-14H2,1-2H3
InChIKeyCBDSZQSYKXWHBV-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.74
Rot. Bonds5

About [1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol

[1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol (PubChem CID 65090266) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol.

Molecular Properties

Compound Name[1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol
PubChem CID65090266
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol
SMILESCC(C)C1CCCC(CO)(NCc2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-15(2)17-9-6-11-18(14-20,12-10-17)19-13-16-7-4-3-5-8-16/h3-5,7-8,15,17,19-20H,6,9-14H2,1-2H3
InChIKeyCBDSZQSYKXWHBV-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
(1-anilino-4-propan-2-ylcycloheptyl)methanol
CID 65090420
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol
CID 65077679
[1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754496
[1-(benzylamino)-3-ethylcyclopentyl]methanol
CID 64515749
[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121
[1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol
CID 107450317
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol
CID 62551272
2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid
CID 83693626

Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol?
The IUPAC name of [1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol (CID 65090266) is [1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol.
What is the SMILES notation for [1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol?
The canonical SMILES for [1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol is CC(C)C1CCCC(CO)(NCc2ccccc2)CC1.
What is the InChIKey of [1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol?
The InChIKey is CBDSZQSYKXWHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(2)17-9-6-11-18(14-20,12-10-17)19-13-16-7-4-3-5-8-16/h3-5,7-8,15,17,19-20H,6,9-14H2,1-2H3.
What are the key properties of [1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol?
[1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol has a molecular weight of 275.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol is sourced from PubChem (CID 65090266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).