[1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol

C18H35NO — CID 79123292

IUPAC[1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol
SMILESCCCC1CCC(CN)(C(O)C2CCC(C)CC2)CC1
InChIInChI=1S/C18H35NO/c1-3-4-15-9-11-18(13-19,12-10-15)17(20)16-7-5-14(2)6-8-16/h14-17,20H,3-13,19H2,1-2H3
InChIKeyXQNGCVPAPISRIS-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.11
Rot. Bonds5

About [1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol

[1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol (PubChem CID 79123292) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is [1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol
PubChem CID79123292
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name[1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol
SMILESCCCC1CCC(CN)(C(O)C2CCC(C)CC2)CC1
InChIInChI=1S/C18H35NO/c1-3-4-15-9-11-18(13-19,12-10-15)17(20)16-7-5-14(2)6-8-16/h14-17,20H,3-13,19H2,1-2H3
InChIKeyXQNGCVPAPISRIS-UHFFFAOYSA-N
XLogP4.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
CID 104576136
1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol
CID 79137820
[1-(aminomethyl)cyclopropyl]-cyclopropylmethanol
CID 102551238
[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol
CID 79138758
(1-ethylcyclopentyl)-(4-methylcyclohexyl)methanol
CID 115805271
[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol
CID 104576140
1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
CID 79128311
[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol
CID 104576133
[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-3-yl)methanol
CID 79138848
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol
CID 79126283
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol
CID 79125813
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol
CID 106676604

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol (CID 79123292) is [1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol is CCCC1CCC(CN)(C(O)C2CCC(C)CC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol?
The InChIKey is XQNGCVPAPISRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-4-15-9-11-18(13-19,12-10-15)17(20)16-7-5-14(2)6-8-16/h14-17,20H,3-13,19H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol?
[1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol has a molecular weight of 281.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol is sourced from PubChem (CID 79123292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).