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

C12H26N2O — CID 64787053

IUPAC3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)CN(C)CC1CCC1
InChIInChI=1S/C12H26N2O/c1-10(2)13-12(9-15)8-14(3)7-11-5-4-6-11/h10-13,15H,4-9H2,1-3H3
InChIKeyDUAZSJWSGYZYKP-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds7

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

3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64787053) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64787053
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)CN(C)CC1CCC1
InChIInChI=1S/C12H26N2O/c1-10(2)13-12(9-15)8-14(3)7-11-5-4-6-11/h10-13,15H,4-9H2,1-3H3
InChIKeyDUAZSJWSGYZYKP-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64787425
3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64790238
3-[cyclohexylmethyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64827404
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 79318223
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802
3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826926
methyl 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoate
CID 62861231
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087
N'-(cyclobutylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 104745978
3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62861866
2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64792457
4-[cyclobutylmethyl(methyl)amino]-2-(propylamino)butan-1-ol
CID 64787236

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol (CID 64787053) is 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)CN(C)CC1CCC1.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is DUAZSJWSGYZYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)13-12(9-15)8-14(3)7-11-5-4-6-11/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol?
3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64787053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).