2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol

C17H34N2O — CID 64827166

IUPAC2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(C)C1CCCCC1C)C1CC1
InChIInChI=1S/C17H34N2O/c1-4-11-18-17(13-20,15-9-10-15)12-19(3)16-8-6-5-7-14(16)2/h14-16,18,20H,4-13H2,1-3H3
InChIKeyDNBSUJVHJNNDPL-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.64
Rot. Bonds8

About 2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol

2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol (PubChem CID 64827166) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol
PubChem CID64827166
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(C)C1CCCCC1C)C1CC1
InChIInChI=1S/C17H34N2O/c1-4-11-18-17(13-20,15-9-10-15)12-19(3)16-8-6-5-7-14(16)2/h14-16,18,20H,4-13H2,1-3H3
InChIKeyDNBSUJVHJNNDPL-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol
CID 58903021
3-Amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol
CID 117915979
(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol
CID 117915980
(3R,4R)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol
CID 126510412
(2S)-3-(3-methylbutylamino)-2-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol
CID 177134832
[1-[2-(Diethylamino)ethylamino]-2-methylcyclohexyl]methanol
CID 61050214
[1-[2-(Dimethylamino)ethylamino]-2-methylcyclohexyl]methanol
CID 61054321
[1-[2-(Diethylamino)ethylamino]-2-ethylcyclohexyl]methanol
CID 64252437
[1-[2-(Dimethylamino)ethylamino]-2-ethylcyclohexyl]methanol
CID 64253212
[3-Cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol
CID 64622380
2-Cyclohexyl-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 64759320
2-Cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64786232

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol (CID 64827166) is 2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol is CCCNC(CO)(CN(C)C1CCCCC1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol?
The InChIKey is DNBSUJVHJNNDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-11-18-17(13-20,15-9-10-15)12-19(3)16-8-6-5-7-14(16)2/h14-16,18,20H,4-13H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64827166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).