2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol

C13H28N2O — CID 64796626

IUPAC2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol
SMILESCCC(CC)N(C)CC(C)(CO)NC1CC1
InChIInChI=1S/C13H28N2O/c1-5-12(6-2)15(4)9-13(3,10-16)14-11-7-8-11/h11-12,14,16H,5-10H2,1-4H3
InChIKeyRXELICTYJMVAIQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol

2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol (PubChem CID 64796626) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol
PubChem CID64796626
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol
SMILESCCC(CC)N(C)CC(C)(CO)NC1CC1
InChIInChI=1S/C13H28N2O/c1-5-12(6-2)15(4)9-13(3,10-16)14-11-7-8-11/h11-12,14,16H,5-10H2,1-4H3
InChIKeyRXELICTYJMVAIQ-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]-2-methylpropan-1-ol
CID 64797072
3-[bis(2-methylpropyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64828074
2-(cyclopropylamino)-4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylbutan-1-ol
CID 64825611
2-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]-2-methylpropan-1-ol
CID 64828099
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropan-1-ol
CID 102998380
3-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64787635
2-(cyclopropylamino)-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentan-1-ol
CID 64826988
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 64797672
2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64795544
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64826895
2-methyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64798662
2-(cyclopropylamino)-2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
CID 64798033

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol (CID 64796626) is 2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol is CCC(CC)N(C)CC(C)(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol?
The InChIKey is RXELICTYJMVAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-12(6-2)15(4)9-13(3,10-16)14-11-7-8-11/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol?
2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 64796626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).