N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine

C18H41N3 — CID 18364451

IUPACN-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCCNCCCN(CCC)CCC
InChIInChI=1S/C18H41N3/c1-5-13-20(14-6-2)17-9-11-19-12-10-18-21(15-7-3)16-8-4/h19H,5-18H2,1-4H3
InChIKeyLPVPIVVFSJRFIS-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.60
Rot. Bonds16

About N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine

N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine (PubChem CID 18364451) has the molecular formula C18H41N3 and a molecular weight of 299.55 g/mol. Its IUPAC name is N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine
PubChem CID18364451
Molecular FormulaC18H41N3
Molecular Weight299.55 g/mol
Exact Mass299.33
IUPAC NameN-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCCNCCCN(CCC)CCC
InChIInChI=1S/C18H41N3/c1-5-13-20(14-6-2)17-9-11-19-12-10-18-21(15-7-3)16-8-4/h19H,5-18H2,1-4H3
InChIKeyLPVPIVVFSJRFIS-UHFFFAOYSA-N
XLogP3.60
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine?
The IUPAC name of N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine (CID 18364451) is N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine?
The canonical SMILES for N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine is CCCN(CCC)CCCNCCCN(CCC)CCC.
What is the InChIKey of N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine?
The InChIKey is LPVPIVVFSJRFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3/c1-5-13-20(14-6-2)17-9-11-19-12-10-18-21(15-7-3)16-8-4/h19H,5-18H2,1-4H3.
What are the key properties of N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine?
N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine has a molecular weight of 299.55 g/mol, XLogP of 3.60, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dipropylamino)propyl]-N',N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 18364451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).