[4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol

C16H31NO — CID 163660765

IUPAC[4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol
SMILESCCCNC1CC1C1CCC(CO)CCC(C)C1
InChIInChI=1S/C16H31NO/c1-3-8-17-16-10-15(16)14-7-6-13(11-18)5-4-12(2)9-14/h12-18H,3-11H2,1-2H3
InChIKeyIUENEEUEZLTPGD-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.20
Rot. Bonds5

About [4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol

[4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol (PubChem CID 163660765) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is [4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol.

Molecular Properties

Compound Name[4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol
PubChem CID163660765
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name[4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol
SMILESCCCNC1CC1C1CCC(CO)CCC(C)C1
InChIInChI=1S/C16H31NO/c1-3-8-17-16-10-15(16)14-7-6-13(11-18)5-4-12(2)9-14/h12-18H,3-11H2,1-2H3
InChIKeyIUENEEUEZLTPGD-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulen-7-yl)cyclohexyl]methanol
CID 134271074
(2R,3S,5S)-N-propyltricyclo[4.2.1.02,5]nonan-3-amine
CID 178190786
2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine
CID 64730144
(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
CID 124708771
ethane;(4-methylcyclohexyl)methanol
CID 142233866
4-ethyl-2-(4-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 55192276
3-cyclopropyl-2-methyl-N-propylcyclopentan-1-amine
CID 64909214
4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
CID 62784580
2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol
CID 64615464
[(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol
CID 130624155
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
ethene;(7-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)methanol
CID 155589363

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol?
The IUPAC name of [4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol (CID 163660765) is [4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol.
What is the SMILES notation for [4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol?
The canonical SMILES for [4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol is CCCNC1CC1C1CCC(CO)CCC(C)C1.
What is the InChIKey of [4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol?
The InChIKey is IUENEEUEZLTPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-8-17-16-10-15(16)14-7-6-13(11-18)5-4-12(2)9-14/h12-18H,3-11H2,1-2H3.
What are the key properties of [4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol?
[4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol has a molecular weight of 253.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol is sourced from PubChem (CID 163660765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).