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

C18H33NO — CID 165497487

IUPAC3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(CC1CC1)C1CC1
InChIInChI=1S/C18H33NO/c1-4-18(2,3)16-10-9-15(20)11-17(16)19(14-7-8-14)12-13-5-6-13/h13-17,20H,4-12H2,1-3H3
InChIKeySAKDNZSNQLKVGM-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.83
Rot. Bonds6

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

3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 165497487) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID165497487
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(CC1CC1)C1CC1
InChIInChI=1S/C18H33NO/c1-4-18(2,3)16-10-9-15(20)11-17(16)19(14-7-8-14)12-13-5-6-13/h13-17,20H,4-12H2,1-3H3
InChIKeySAKDNZSNQLKVGM-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165498480
2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 64522611
3-[ethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491462
3-[(3,3-dimethylcyclobutyl)-methylamino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497502
4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol
CID 165498697
4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
CID 165491972
3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165498395
4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol
CID 165498702
4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 165498179
4-tert-butyl-3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 165498706
4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol
CID 165491996
2-(2-methylbutan-2-yl)bicyclo[3.1.1]heptane
CID 123158926

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 165497487) is 3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)CC1N(CC1CC1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is SAKDNZSNQLKVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-18(2,3)16-10-9-15(20)11-17(16)19(14-7-8-14)12-13-5-6-13/h13-17,20H,4-12H2,1-3H3.
What are the key properties of 3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
3-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 279.47 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(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 165497487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).