1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol

C14H32N2O — CID 103191453

IUPAC1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol
SMILESCCN(CCC(O)C(C)(C)C)C(C)CN(C)C
InChIInChI=1S/C14H32N2O/c1-8-16(12(2)11-15(6)7)10-9-13(17)14(3,4)5/h12-13,17H,8-11H2,1-7H3
InChIKeyFBWGKAVPLCDKEI-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.06
Rot. Bonds7

About 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol

1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol (PubChem CID 103191453) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol
PubChem CID103191453
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol
SMILESCCN(CCC(O)C(C)(C)C)C(C)CN(C)C
InChIInChI=1S/C14H32N2O/c1-8-16(12(2)11-15(6)7)10-9-13(17)14(3,4)5/h12-13,17H,8-11H2,1-7H3
InChIKeyFBWGKAVPLCDKEI-UHFFFAOYSA-N
XLogP2.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190643
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine
CID 103189525
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine
CID 103189553
3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine
CID 103189561
4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol
CID 62624462
3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
CID 103192376
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2,3-dimethylbutan-2-ol
CID 103190439
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol
CID 103190449
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid
CID 103191984
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide
CID 103190946
1-(dipropylamino)-4,4-dimethylpentan-3-ol
CID 62623381
1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol
CID 63700199

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol (CID 103191453) is 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol is CCN(CCC(O)C(C)(C)C)C(C)CN(C)C.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol?
The InChIKey is FBWGKAVPLCDKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-8-16(12(2)11-15(6)7)10-9-13(17)14(3,4)5/h12-13,17H,8-11H2,1-7H3.
What are the key properties of 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol?
1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol has a molecular weight of 244.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 103191453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).