[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol

C14H27NO — CID 79479823

IUPAC[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol
SMILESCC(C)C1CCC(NCC2(CO)CC2)CC1
InChIInChI=1S/C14H27NO/c1-11(2)12-3-5-13(6-4-12)15-9-14(10-16)7-8-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyRMDCQICBRONZOB-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.56
Rot. Bonds5

About [1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol

[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol (PubChem CID 79479823) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol
PubChem CID79479823
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol
SMILESCC(C)C1CCC(NCC2(CO)CC2)CC1
InChIInChI=1S/C14H27NO/c1-11(2)12-3-5-13(6-4-12)15-9-14(10-16)7-8-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyRMDCQICBRONZOB-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol (CID 79479823) is [1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol is CC(C)C1CCC(NCC2(CO)CC2)CC1.
What is the InChIKey of [1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol?
The InChIKey is RMDCQICBRONZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)12-3-5-13(6-4-12)15-9-14(10-16)7-8-14/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of [1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol?
[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 79479823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).