2-(dipropylamino)-4-methylpentan-1-ol

C12H27NO — CID 104549265

IUPAC2-(dipropylamino)-4-methylpentan-1-ol
SMILESCCCN(CCC)C(CO)CC(C)C
InChIInChI=1S/C12H27NO/c1-5-7-13(8-6-2)12(10-14)9-11(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyRWASPNLLSXUEMX-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.52
Rot. Bonds8

About 2-(dipropylamino)-4-methylpentan-1-ol

2-(dipropylamino)-4-methylpentan-1-ol (PubChem CID 104549265) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-(dipropylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(dipropylamino)-4-methylpentan-1-ol
PubChem CID104549265
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-(dipropylamino)-4-methylpentan-1-ol
SMILESCCCN(CCC)C(CO)CC(C)C
InChIInChI=1S/C12H27NO/c1-5-7-13(8-6-2)12(10-14)9-11(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyRWASPNLLSXUEMX-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dipropylbutan-2-amine
CID 524229
2-[hydroxymethyl(2-methylsulfonylethyl)amino]-4-methylpentan-1-ol
CID 174108431
3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid
CID 82328088
methyl 3-[[(2S)-1-hydroxy-4-methylpentan-2-yl]-(3-iodooxy-3-oxopropyl)amino]propanoate
CID 90208830
(2R)-2-(dipropylamino)-3-phenylpropan-1-ol
CID 107861512
1-hydroxy-2-[2-hydroxyethyl-(1-hydroxy-4-methylpentan-2-yl)amino]ethanesulfonic acid
CID 167409200
N,N-dipropylbutan-2-amine;ethane;propane
CID 143577846
1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
CID 141222296
3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol
CID 104710820
2-[4-aminobutan-2-yl(propyl)amino]ethanol
CID 61424926
zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine
CID 171588586
2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
CID 107886008

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-4-methylpentan-1-ol?
The IUPAC name of 2-(dipropylamino)-4-methylpentan-1-ol (CID 104549265) is 2-(dipropylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(dipropylamino)-4-methylpentan-1-ol?
The canonical SMILES for 2-(dipropylamino)-4-methylpentan-1-ol is CCCN(CCC)C(CO)CC(C)C.
What is the InChIKey of 2-(dipropylamino)-4-methylpentan-1-ol?
The InChIKey is RWASPNLLSXUEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-13(8-6-2)12(10-14)9-11(3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-(dipropylamino)-4-methylpentan-1-ol?
2-(dipropylamino)-4-methylpentan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 104549265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).