N',N'-dimethylpropane-1,3-diamine

C5H14N2 — CID 7993

IUPACN',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN
InChIInChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3
InChIKeyIUNMPGNGSSIWFP-UHFFFAOYSA-N
MW102.18 g/mol
LogP-0.10
Rot. Bonds3

About N',N'-dimethylpropane-1,3-diamine

N',N'-dimethylpropane-1,3-diamine (PubChem CID 7993) has the molecular formula C5H14N2 and a molecular weight of 102.18 g/mol. Its IUPAC name is N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethylpropane-1,3-diamine
PubChem CID7993
Molecular FormulaC5H14N2
Molecular Weight102.18 g/mol
Exact Mass102.12
IUPAC NameN',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN
InChIInChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3
InChIKeyIUNMPGNGSSIWFP-UHFFFAOYSA-N
XLogP-0.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-1,3-propanediamine
CID 61011
N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine
CID 81207
N-Methyl-1,3-propanediamine
CID 80511
N,N-bis(3-aminopropyl)methylamine
CID 7777
Dimethyldipropylenetriamine
CID 82728
3-(Dibutylamino)propylamine
CID 1626
N-Propyl-1,3-propanediamine
CID 90250
N-Ethyl-1,3-propanediamine
CID 82727
N1,N3-Diethylpropane-1,3-diamine
CID 82334
N,N'-Dimethyl-1,3-propanediamine
CID 66978
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'-dimethylpropane-1,3-diamine?
The IUPAC name of N',N'-dimethylpropane-1,3-diamine (CID 7993) is N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N',N'-dimethylpropane-1,3-diamine is CN(C)CCCN.
What is the InChIKey of N',N'-dimethylpropane-1,3-diamine?
The InChIKey is IUNMPGNGSSIWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3.
What are the key properties of N',N'-dimethylpropane-1,3-diamine?
N',N'-dimethylpropane-1,3-diamine has a molecular weight of 102.18 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 7993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).