N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride

C12H30ClNO — CID 173448711

IUPACN,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride
SMILESCCCN(CCC)CCC.CCCO.Cl
InChIInChI=1S/C9H21N.C3H8O.ClH/c1-4-7-10(8-5-2)9-6-3;1-2-3-4;/h4-9H2,1-3H3;4H,2-3H2,1H3;1H
InChIKeyYEXIEGIAHHEYRI-UHFFFAOYSA-N
MW239.83 g/mol
LogP3.33
Rot. Bonds7

About N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride

N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride (PubChem CID 173448711) has the molecular formula C12H30ClNO and a molecular weight of 239.83 g/mol. Its IUPAC name is N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride.

Molecular Properties

Compound NameN,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride
PubChem CID173448711
Molecular FormulaC12H30ClNO
Molecular Weight239.83 g/mol
Exact Mass239.20
IUPAC NameN,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride
SMILESCCCN(CCC)CCC.CCCO.Cl
InChIInChI=1S/C9H21N.C3H8O.ClH/c1-4-7-10(8-5-2)9-6-3;1-2-3-4;/h4-9H2,1-3H3;4H,2-3H2,1H3;1H
InChIKeyYEXIEGIAHHEYRI-UHFFFAOYSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;propane
CID 174574210
2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
CID 174894072
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
bis(N,N-dipropylpropan-1-amine);heptan-1-ol
CID 87768576
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
2-[2-chloroethyl(propyl)amino]ethanol
CID 61425253
sodium;N,N-dipropylpropan-1-amine;chloride
CID 175189857
cobalt;propan-1-ol;hydrochloride
CID 87992345
3-[decyl(propyl)amino]propan-1-ol
CID 13122229

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride?
The IUPAC name of N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride (CID 173448711) is N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride.
What is the SMILES notation for N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride?
The canonical SMILES for N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride is CCCN(CCC)CCC.CCCO.Cl.
What is the InChIKey of N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride?
The InChIKey is YEXIEGIAHHEYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C3H8O.ClH/c1-4-7-10(8-5-2)9-6-3;1-2-3-4;/h4-9H2,1-3H3;4H,2-3H2,1H3;1H.
What are the key properties of N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride?
N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride has a molecular weight of 239.83 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride is sourced from PubChem (CID 173448711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).