1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol

C14H32N2O — CID 62623379

IUPAC1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol
SMILESCCCNC(CCN(C)CC(C)O)C(C)(C)C
InChIInChI=1S/C14H32N2O/c1-7-9-15-13(14(3,4)5)8-10-16(6)11-12(2)17/h12-13,15,17H,7-11H2,1-6H3
InChIKeyLJKLTWMFLXYUDY-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.10
Rot. Bonds8

About 1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol

1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol (PubChem CID 62623379) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol
PubChem CID62623379
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol
SMILESCCCNC(CCN(C)CC(C)O)C(C)(C)C
InChIInChI=1S/C14H32N2O/c1-7-9-15-13(14(3,4)5)8-10-16(6)11-12(2)17/h12-13,15,17H,7-11H2,1-6H3
InChIKeyLJKLTWMFLXYUDY-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol with MolForge

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Related Compounds

1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63699837
1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62861204
3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine
CID 62624784
1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62622855
1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine
CID 63493785
2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol
CID 62622852
1-N,4,4-trimethyl-3-N-propyl-1-N-(thiophen-3-ylmethyl)pentane-1,3-diamine
CID 55098279
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine
CID 63494152
1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol
CID 62338146
3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349560
1-N-ethyl-4,4-dimethyl-1-N-(4-methylphenyl)-3-N-propylpentane-1,3-diamine
CID 63494801

Frequently Asked Questions

What is the IUPAC name of 1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol (CID 62623379) is 1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol is CCCNC(CCN(C)CC(C)O)C(C)(C)C.
What is the InChIKey of 1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol?
The InChIKey is LJKLTWMFLXYUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-9-15-13(14(3,4)5)8-10-16(6)11-12(2)17/h12-13,15,17H,7-11H2,1-6H3.
What are the key properties of 1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol?
1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol has a molecular weight of 244.42 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol is sourced from PubChem (CID 62623379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).