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

C12H26N2O — CID 64818466

IUPAC1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol
SMILESCC(C)CCN(C)CC(O)(CN)C1CC1
InChIInChI=1S/C12H26N2O/c1-10(2)6-7-14(3)9-12(15,8-13)11-4-5-11/h10-11,15H,4-9,13H2,1-3H3
InChIKeyIFPUZBTYYBDIEL-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.06
Rot. Bonds7

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

1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol (PubChem CID 64818466) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol
PubChem CID64818466
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol
SMILESCC(C)CCN(C)CC(O)(CN)C1CC1
InChIInChI=1S/C12H26N2O/c1-10(2)6-7-14(3)9-12(15,8-13)11-4-5-11/h10-11,15H,4-9,13H2,1-3H3
InChIKeyIFPUZBTYYBDIEL-UHFFFAOYSA-N
XLogP1.06
TPSA49.49 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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-cyclopropyl-6-methylheptan-2-ol
CID 83158527
1-amino-2-cyclopropyl-3-[cyclopropyl(methyl)amino]propan-2-ol
CID 64820350
methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
CID 63916861
2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64825632
3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol
CID 115919417
1-amino-2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]propan-2-ol
CID 64820006
1-amino-3-[bis(2-ethoxyethyl)amino]-2-cyclopropylpropan-2-ol
CID 82966232
4-cyclopropyl-2,6-dimethylheptan-4-ol
CID 114865303
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78987321
2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 79001491
2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411
1-amino-2-cyclopropyl-3-methoxypropan-2-ol
CID 64813573

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol (CID 64818466) is 1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol is CC(C)CCN(C)CC(O)(CN)C1CC1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol?
The InChIKey is IFPUZBTYYBDIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)6-7-14(3)9-12(15,8-13)11-4-5-11/h10-11,15H,4-9,13H2,1-3H3.
What are the key properties of 1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol?
1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol is sourced from PubChem (CID 64818466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).