N,N-dipropylpropan-1-amine;pentahydrochloride

C9H26Cl5N — CID 172789957

IUPACN,N-dipropylpropan-1-amine;pentahydrochloride
SMILESCCCN(CCC)CCC.Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/C9H21N.5ClH/c1-4-7-10(8-5-2)9-6-3;;;;;/h4-9H2,1-3H3;5*1H
InChIKeyPKSMLAVESRWIMX-UHFFFAOYSA-N
MW325.58 g/mol
LogP4.63
Rot. Bonds6

About N,N-dipropylpropan-1-amine;pentahydrochloride

N,N-dipropylpropan-1-amine;pentahydrochloride (PubChem CID 172789957) has the molecular formula C9H26Cl5N and a molecular weight of 325.58 g/mol. Its IUPAC name is N,N-dipropylpropan-1-amine;pentahydrochloride.

Molecular Properties

Compound NameN,N-dipropylpropan-1-amine;pentahydrochloride
PubChem CID172789957
Molecular FormulaC9H26Cl5N
Molecular Weight325.58 g/mol
Exact Mass323.05
IUPAC NameN,N-dipropylpropan-1-amine;pentahydrochloride
SMILESCCCN(CCC)CCC.Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/C9H21N.5ClH/c1-4-7-10(8-5-2)9-6-3;;;;;/h4-9H2,1-3H3;5*1H
InChIKeyPKSMLAVESRWIMX-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropylpropan-1-amine;pentahydrochloride?
The IUPAC name of N,N-dipropylpropan-1-amine;pentahydrochloride (CID 172789957) is N,N-dipropylpropan-1-amine;pentahydrochloride.
What is the SMILES notation for N,N-dipropylpropan-1-amine;pentahydrochloride?
The canonical SMILES for N,N-dipropylpropan-1-amine;pentahydrochloride is CCCN(CCC)CCC.Cl.Cl.Cl.Cl.Cl.
What is the InChIKey of N,N-dipropylpropan-1-amine;pentahydrochloride?
The InChIKey is PKSMLAVESRWIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.5ClH/c1-4-7-10(8-5-2)9-6-3;;;;;/h4-9H2,1-3H3;5*1H.
What are the key properties of N,N-dipropylpropan-1-amine;pentahydrochloride?
N,N-dipropylpropan-1-amine;pentahydrochloride has a molecular weight of 325.58 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylpropan-1-amine;pentahydrochloride is sourced from PubChem (CID 172789957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).