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

C12H26N2O — CID 64795508

IUPAC2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol
SMILESCCC(C)CN(C)CC(N)(CO)C1CC1
InChIInChI=1S/C12H26N2O/c1-4-10(2)7-14(3)8-12(13,9-15)11-5-6-11/h10-11,15H,4-9,13H2,1-3H3
InChIKeyREHMFZCVIFBMIC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.06
Rot. Bonds7

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

2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol (PubChem CID 64795508) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol
PubChem CID64795508
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol
SMILESCCC(C)CN(C)CC(N)(CO)C1CC1
InChIInChI=1S/C12H26N2O/c1-4-10(2)7-14(3)8-12(13,9-15)11-5-6-11/h10-11,15H,4-9,13H2,1-3H3
InChIKeyREHMFZCVIFBMIC-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

CID 64790293
CID 64790293
CID 64825488
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CID 64825682
CID 64825682
CID 64825685
CID 64825685
CID 64825686
CID 64825686
CID 64825690
CID 64825690
CID 64825693
CID 64825693
CID 64825890
CID 64825890
CID 64826257
CID 64826257
CID 64826284
CID 64826284
CID 64826287
CID 64826287
CID 64826493
CID 64826493

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol (CID 64795508) is 2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol is CCC(C)CN(C)CC(N)(CO)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol?
The InChIKey is REHMFZCVIFBMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-10(2)7-14(3)8-12(13,9-15)11-5-6-11/h10-11,15H,4-9,13H2,1-3H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol?
2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-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 2-amino-2-cyclopropyl-3-[methyl(2-methylbutyl)amino]propan-1-ol is sourced from PubChem (CID 64795508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).