3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol

C13H30N2O — CID 81414349

IUPAC3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)CC(CNCC(C)(C)CO)N(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)7-12(15(5)6)8-14-9-13(3,4)10-16/h11-12,14,16H,7-10H2,1-6H3
InChIKeyPDUIDMMQZQDSBK-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.57
Rot. Bonds8

About 3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol

3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 81414349) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol
PubChem CID81414349
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)CC(CNCC(C)(C)CO)N(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)7-12(15(5)6)8-14-9-13(3,4)10-16/h11-12,14,16H,7-10H2,1-6H3
InChIKeyPDUIDMMQZQDSBK-UHFFFAOYSA-N
XLogP1.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol (CID 81414349) is 3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol is CC(C)CC(CNCC(C)(C)CO)N(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is PDUIDMMQZQDSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(2)7-12(15(5)6)8-14-9-13(3,4)10-16/h11-12,14,16H,7-10H2,1-6H3.
What are the key properties of 3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol?
3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 230.40 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81414349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).