[2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol

C18H36N2O — CID 106360190

IUPAC[2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol
SMILESCC(C)(C)C1CCC(C(CN)NC2CCCC2CO)CC1
InChIInChI=1S/C18H36N2O/c1-18(2,3)15-9-7-13(8-10-15)17(11-19)20-16-6-4-5-14(16)12-21/h13-17,20-21H,4-12,19H2,1-3H3
InChIKeyBIKYLVHBYCJJKQ-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.92
Rot. Bonds5

About [2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol

[2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol (PubChem CID 106360190) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol
PubChem CID106360190
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol
SMILESCC(C)(C)C1CCC(C(CN)NC2CCCC2CO)CC1
InChIInChI=1S/C18H36N2O/c1-18(2,3)15-9-7-13(8-10-15)17(11-19)20-16-6-4-5-14(16)12-21/h13-17,20-21H,4-12,19H2,1-3H3
InChIKeyBIKYLVHBYCJJKQ-UHFFFAOYSA-N
XLogP2.92
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol
CID 103700508
[2-(dicyclopropylmethylamino)cyclopentyl]methanol
CID 115723754
4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol
CID 104575475
[2-[(1-amino-3-cyclobutyl-2-methylpropan-2-yl)amino]cyclopentyl]methanol
CID 106360185
[2-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]cyclohexyl]methanol
CID 106360417
[2-(1-cyclopentylethylamino)cyclopentyl]methanol
CID 115723803
3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid
CID 106359984
[2-(1-cyclopropylpropan-2-ylamino)cyclopentyl]methanol
CID 115723777
[1-(4-tert-butylcyclohexyl)-3-methylbutyl]hydrazine
CID 105232627
2-amino-2-cyclopropyl-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103821178
[2-[[2-(aminomethyl)cyclopentyl]amino]cyclohexyl]methanol
CID 106359831
2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol
CID 106360962

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol?
The IUPAC name of [2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol (CID 106360190) is [2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol?
The canonical SMILES for [2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol is CC(C)(C)C1CCC(C(CN)NC2CCCC2CO)CC1.
What is the InChIKey of [2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol?
The InChIKey is BIKYLVHBYCJJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-18(2,3)15-9-7-13(8-10-15)17(11-19)20-16-6-4-5-14(16)12-21/h13-17,20-21H,4-12,19H2,1-3H3.
What are the key properties of [2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol?
[2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol has a molecular weight of 296.50 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 106360190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).