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

C18H33NO — CID 64522611

IUPAC2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(N(CC2CC2)C2CC2)C1
InChIInChI=1S/C18H33NO/c1-4-18(2,3)14-7-10-17(20)16(11-14)19(15-8-9-15)12-13-5-6-13/h13-17,20H,4-12H2,1-3H3
InChIKeyZRWIYFBBWFGMMI-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.83
Rot. Bonds6

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

2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 64522611) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID64522611
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(N(CC2CC2)C2CC2)C1
InChIInChI=1S/C18H33NO/c1-4-18(2,3)14-7-10-17(20)16(11-14)19(15-8-9-15)12-13-5-6-13/h13-17,20H,4-12H2,1-3H3
InChIKeyZRWIYFBBWFGMMI-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(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497487
4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
CID 63712484
2-(aminomethyl)-N-(cyclopropylmethyl)-N-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 54883914
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293648
2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 63073876
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63956178
1-ethyl-3-(2-methylbutan-2-yl)cyclopentane
CID 123901390
2-(cyclohexylmethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63466844
4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
CID 115942468
3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165498480
4-(2-methylbutan-2-yl)-2-(4-propylpiperidin-1-yl)cyclohexan-1-ol
CID 63472120
4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol
CID 63236736

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 64522611) is 2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)C(N(CC2CC2)C2CC2)C1.
What is the InChIKey of 2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is ZRWIYFBBWFGMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-18(2,3)14-7-10-17(20)16(11-14)19(15-8-9-15)12-13-5-6-13/h13-17,20H,4-12H2,1-3H3.
What are the key properties of 2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
2-[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 2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 64522611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).