2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol

C16H35N3O — CID 102998387

IUPAC2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(CC)CCCN(C)C)C1CC1
InChIInChI=1S/C16H35N3O/c1-5-10-17-16(14-20,15-8-9-15)13-19(6-2)12-7-11-18(3)4/h15,17,20H,5-14H2,1-4H3
InChIKeyRVFMZOZWJSWKSK-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.40
Rot. Bonds12

About 2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol

2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol (PubChem CID 102998387) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol
PubChem CID102998387
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(CC)CCCN(C)C)C1CC1
InChIInChI=1S/C16H35N3O/c1-5-10-17-16(14-20,15-8-9-15)13-19(6-2)12-7-11-18(3)4/h15,17,20H,5-14H2,1-4H3
InChIKeyRVFMZOZWJSWKSK-UHFFFAOYSA-N
XLogP1.40
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propan-1-ol
CID 64790825
3-[cyclobutylmethyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 107402544
2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64790469
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropan-1-ol
CID 102998380
3-[cyclopentyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64797055
2-cyclopropyl-3-[2-methoxyethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64826993
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64798182
2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64797922
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propyl)amino]propan-1-ol
CID 64796814
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64796214
2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propan-1-ol
CID 64796545
2-cyclopropyl-3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
CID 64825822

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol (CID 102998387) is 2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol is CCCNC(CO)(CN(CC)CCCN(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol?
The InChIKey is RVFMZOZWJSWKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-5-10-17-16(14-20,15-8-9-15)13-19(6-2)12-7-11-18(3)4/h15,17,20H,5-14H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol has a molecular weight of 285.48 g/mol, XLogP of 1.40, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol is sourced from PubChem (CID 102998387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).