3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol

C13H28N2O — CID 64826926

IUPAC3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCCCN(CC1CC1)CC(CO)NC(C)C
InChIInChI=1S/C13H28N2O/c1-4-7-15(8-12-5-6-12)9-13(10-16)14-11(2)3/h11-14,16H,4-10H2,1-3H3
InChIKeyMSHOIRHTJKHYDP-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds9

About 3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol

3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64826926) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64826926
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCCCN(CC1CC1)CC(CO)NC(C)C
InChIInChI=1S/C13H28N2O/c1-4-7-15(8-12-5-6-12)9-13(10-16)14-11(2)3/h11-14,16H,4-10H2,1-3H3
InChIKeyMSHOIRHTJKHYDP-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64790238
1-[cyclopropylmethyl(propyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61440788
(2R)-1-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 103935017
3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64787053
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
3-[cyclopropylmethyl(propyl)amino]-2-methylpropanehydrazide
CID 63584517
1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 115475061
4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid
CID 82770458
3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide
CID 61441894
4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol
CID 64789380
3-(dipropylamino)-2-(methylamino)propan-1-ol
CID 64797176
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol (CID 64826926) is 3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol is CCCN(CC1CC1)CC(CO)NC(C)C.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is MSHOIRHTJKHYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-15(8-12-5-6-12)9-13(10-16)14-11(2)3/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol?
3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64826926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).