4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol

C12H29N3O — CID 102992320

IUPAC4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol
SMILESCCN(CCCN(C)C)CC(CCO)NC
InChIInChI=1S/C12H29N3O/c1-5-15(9-6-8-14(3)4)11-12(13-2)7-10-16/h12-13,16H,5-11H2,1-4H3
InChIKeyROBKWNBCKZJADZ-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.23
Rot. Bonds10

About 4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol

4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol (PubChem CID 102992320) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol
PubChem CID102992320
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC Name4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol
SMILESCCN(CCCN(C)C)CC(CCO)NC
InChIInChI=1S/C12H29N3O/c1-5-15(9-6-8-14(3)4)11-12(13-2)7-10-16/h12-13,16H,5-11H2,1-4H3
InChIKeyROBKWNBCKZJADZ-UHFFFAOYSA-N
XLogP0.23
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine
CID 102992396
4-[butyl(ethyl)amino]-3-(propylamino)butan-1-ol
CID 64897316
4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol
CID 64899469
3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol
CID 64899677
4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol
CID 64900542
N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine
CID 102994226
4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol
CID 64899466
4-[ethyl(2-methylpropyl)amino]butan-1-ol
CID 43509665
4-(diethylamino)-3-(propylamino)butan-1-ol
CID 64898153
1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol
CID 102996311
3-(methylamino)heptan-1-ol
CID 13033821
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol?
The IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol (CID 102992320) is 4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol is CCN(CCCN(C)C)CC(CCO)NC.
What is the InChIKey of 4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol?
The InChIKey is ROBKWNBCKZJADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O/c1-5-15(9-6-8-14(3)4)11-12(13-2)7-10-16/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol?
4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 0.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol is sourced from PubChem (CID 102992320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).