2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol

C14H28N2O — CID 64798076

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol
SMILESCCN(CC(CO)(NC1CC1)C1CC1)C(C)C
InChIInChI=1S/C14H28N2O/c1-4-16(11(2)3)9-14(10-17,12-5-6-12)15-13-7-8-13/h11-13,15,17H,4-10H2,1-3H3
InChIKeyXDAHAOZZRXVJRL-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds8

About 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol (PubChem CID 64798076) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol
PubChem CID64798076
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol
SMILESCCN(CC(CO)(NC1CC1)C1CC1)C(C)C
InChIInChI=1S/C14H28N2O/c1-4-16(11(2)3)9-14(10-17,12-5-6-12)15-13-7-8-13/h11-13,15,17H,4-10H2,1-3H3
InChIKeyXDAHAOZZRXVJRL-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 64825994
2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol
CID 64826170
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propyl)amino]propan-1-ol
CID 64796814
3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64797656
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propanamide
CID 63911283
2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol
CID 64796552
2-cyclopropyl-2-(cyclopropylamino)-3-propan-2-yloxypropan-1-ol
CID 64804667
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64798775
2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol
CID 64825369
2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol
CID 81065079
2-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]-2-methylpropan-1-ol
CID 64828099
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64790212

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol (CID 64798076) is 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol is CCN(CC(CO)(NC1CC1)C1CC1)C(C)C.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol?
The InChIKey is XDAHAOZZRXVJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-16(11(2)3)9-14(10-17,12-5-6-12)15-13-7-8-13/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 64798076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).