2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol

C14H27NO — CID 62708652

IUPAC2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCCN(C1CC1)C1CC(C(C)C)CCC1O
InChIInChI=1S/C14H27NO/c1-4-15(12-6-7-12)13-9-11(10(2)3)5-8-14(13)16/h10-14,16H,4-9H2,1-3H3
InChIKeyXMFWXQZUDDSYST-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds4

About 2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol

2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62708652) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID62708652
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCCN(C1CC1)C1CC(C(C)C)CCC1O
InChIInChI=1S/C14H27NO/c1-4-15(12-6-7-12)13-9-11(10(2)3)5-8-14(13)16/h10-14,16H,4-9H2,1-3H3
InChIKeyXMFWXQZUDDSYST-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 62708652) is 2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol is CCN(C1CC1)C1CC(C(C)C)CCC1O.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is XMFWXQZUDDSYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-15(12-6-7-12)13-9-11(10(2)3)5-8-14(13)16/h10-14,16H,4-9H2,1-3H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62708652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).