1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol

C16H29NO — CID 79126430

IUPAC1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol
SMILESNCC1(C2(O)CCCC(C3CC3)C2)CCCCC1
InChIInChI=1S/C16H29NO/c17-12-15(8-2-1-3-9-15)16(18)10-4-5-14(11-16)13-6-7-13/h13-14,18H,1-12,17H2
InChIKeyTZIQQQCRWWSCJT-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.23
Rot. Bonds3

About 1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol

1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol (PubChem CID 79126430) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol
PubChem CID79126430
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol
SMILESNCC1(C2(O)CCCC(C3CC3)C2)CCCCC1
InChIInChI=1S/C16H29NO/c17-12-15(8-2-1-3-9-15)16(18)10-4-5-14(11-16)13-6-7-13/h13-14,18H,1-12,17H2
InChIKeyTZIQQQCRWWSCJT-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol (CID 79126430) is 1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol is NCC1(C2(O)CCCC(C3CC3)C2)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol?
The InChIKey is TZIQQQCRWWSCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c17-12-15(8-2-1-3-9-15)16(18)10-4-5-14(11-16)13-6-7-13/h13-14,18H,1-12,17H2.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol?
1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol is sourced from PubChem (CID 79126430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).