3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C17H33NO — CID 165498480

IUPAC3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCCN(C1CC1)C1CC(O)CCC1C(C)(C)CC
InChIInChI=1S/C17H33NO/c1-5-11-18(13-7-8-13)16-12-14(19)9-10-15(16)17(3,4)6-2/h13-16,19H,5-12H2,1-4H3
InChIKeyNYBWFAQLJTWCAJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.83
Rot. Bonds6

About 3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 165498480) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID165498480
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCCN(C1CC1)C1CC(O)CCC1C(C)(C)CC
InChIInChI=1S/C17H33NO/c1-5-11-18(13-7-8-13)16-12-14(19)9-10-15(16)17(3,4)6-2/h13-16,19H,5-12H2,1-4H3
InChIKeyNYBWFAQLJTWCAJ-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497487
3-[ethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491462
3-[cyclopropyl(propyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490869
3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497502
4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol
CID 165498702
3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165498395
2-[cyclopropyl(propyl)amino]cyclopentan-1-ol
CID 60886759
trans-(1R,2R)-2-[cyclopropyl(propyl)amino]cyclopentan-1-ol
CID 102734359
4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
CID 165491972
2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 64522611
2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419999
4-tert-butyl-3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 165498706

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 165498480) is 3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCCN(C1CC1)C1CC(O)CCC1C(C)(C)CC.
What is the InChIKey of 3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is NYBWFAQLJTWCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-11-18(13-7-8-13)16-12-14(19)9-10-15(16)17(3,4)6-2/h13-16,19H,5-12H2,1-4H3.
What are the key properties of 3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 165498480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).