N',N'-dipropylbutane-1,4-diamine

C10H24N2 — CID 7138396

IUPACN',N'-dipropylbutane-1,4-diamine
SMILESCCCN(CCC)CCCCN
InChIInChI=1S/C10H24N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-11H2,1-2H3
InChIKeyGLDVKMPSACNWFV-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.85
Rot. Bonds8

About N',N'-dipropylbutane-1,4-diamine

N',N'-dipropylbutane-1,4-diamine (PubChem CID 7138396) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N',N'-dipropylbutane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dipropylbutane-1,4-diamine
PubChem CID7138396
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN',N'-dipropylbutane-1,4-diamine
SMILESCCCN(CCC)CCCCN
InChIInChI=1S/C10H24N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-11H2,1-2H3
InChIKeyGLDVKMPSACNWFV-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dibutylamine
CID 8148
N,N-Diethyl-1,3-propanediamine
CID 61011
N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine
CID 81207
N1-(4-Aminobutyl)-1,4-butanediamine
CID 368
N,N-bis(3-aminopropyl)methylamine
CID 7777
Dimethyldipropylenetriamine
CID 82728
3-(Dibutylamino)propylamine
CID 1626
Novoldiamine
CID 78953
Aminobutylhomospermidine
CID 6452022
Dibutylamine hydrochloride
CID 3083954
Bis(3-(methylamino)propyl)methylamine
CID 67161
N,N-Diethyl-N'-methyl-1,3-propanediamine
CID 79577

Frequently Asked Questions

What is the IUPAC name of N',N'-dipropylbutane-1,4-diamine?
The IUPAC name of N',N'-dipropylbutane-1,4-diamine (CID 7138396) is N',N'-dipropylbutane-1,4-diamine.
What is the SMILES notation for N',N'-dipropylbutane-1,4-diamine?
The canonical SMILES for N',N'-dipropylbutane-1,4-diamine is CCCN(CCC)CCCCN.
What is the InChIKey of N',N'-dipropylbutane-1,4-diamine?
The InChIKey is GLDVKMPSACNWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-11H2,1-2H3.
What are the key properties of N',N'-dipropylbutane-1,4-diamine?
N',N'-dipropylbutane-1,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dipropylbutane-1,4-diamine is sourced from PubChem (CID 7138396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).