3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol

C14H30N2O — CID 64827129

IUPAC3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)CN(CC(C)(CO)NC(C)C)C1CC1
InChIInChI=1S/C14H30N2O/c1-11(2)8-16(13-6-7-13)9-14(5,10-17)15-12(3)4/h11-13,15,17H,6-10H2,1-5H3
InChIKeyHOQLREXZXVBHNH-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds8

About 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol

3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64827129) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64827129
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)CN(CC(C)(CO)NC(C)C)C1CC1
InChIInChI=1S/C14H30N2O/c1-11(2)8-16(13-6-7-13)9-14(5,10-17)15-12(3)4/h11-13,15,17H,6-10H2,1-5H3
InChIKeyHOQLREXZXVBHNH-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64798308
2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64798699
5-[cyclopropyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64795940
4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylbutan-1-ol
CID 64826138
2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 79490308
2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827314
N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260416
3-[cyclopentyl(ethyl)amino]-2-methyl-2-(methylamino)propan-1-ol
CID 64797688
N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62258875
3-[bis(2-methylpropyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64828074
6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64798501
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64798088

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol (CID 64827129) is 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol is CC(C)CN(CC(C)(CO)NC(C)C)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is HOQLREXZXVBHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)8-16(13-6-7-13)9-14(5,10-17)15-12(3)4/h11-13,15,17H,6-10H2,1-5H3.
What are the key properties of 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol?
3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64827129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).