1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol

C9H20N2O — CID 64818871

IUPAC1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(O)CN)C1CC1
InChIInChI=1S/C9H20N2O/c1-3-11(8-4-5-8)7-9(2,12)6-10/h8,12H,3-7,10H2,1-2H3
InChIKeyJDJIKWCSISUPAL-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds5

About 1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol

1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol (PubChem CID 64818871) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol
PubChem CID64818871
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(O)CN)C1CC1
InChIInChI=1S/C9H20N2O/c1-3-11(8-4-5-8)7-9(2,12)6-10/h8,12H,3-7,10H2,1-2H3
InChIKeyJDJIKWCSISUPAL-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(ethyl)amino]-2-methylbutan-2-ol
CID 114495344
N'-cyclopropyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 62264209
N-(2,2-dimethylpropyl)-N-ethylcyclopropanamine
CID 67816379
1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol
CID 79389933
1-amino-6-[cyclopropyl(propyl)amino]-2-methylhexan-2-ol
CID 64819984
1-[ethyl(piperidin-4-yl)amino]-2-methylpropan-2-ol
CID 60883814
3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol
CID 106811212
2-amino-2-cyclopropyl-3-[cyclopropyl(ethyl)amino]propan-1-ol
CID 64796590
1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol
CID 64819349
4-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 114762519
1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol
CID 64820510
1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 114496456

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol (CID 64818871) is 1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol is CCN(CC(C)(O)CN)C1CC1.
What is the InChIKey of 1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol?
The InChIKey is JDJIKWCSISUPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-11(8-4-5-8)7-9(2,12)6-10/h8,12H,3-7,10H2,1-2H3.
What are the key properties of 1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol?
1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 64818871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).