1-deuterio-N,N-dimethylpropane-1,3-diamine

C5H14N2 — CID 175974134

IUPAC1-deuterio-N,N-dimethylpropane-1,3-diamine
SMILES[2H]C(CCN)N(C)C
InChIInChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3/i5D
InChIKeyIUNMPGNGSSIWFP-UICOGKGYSA-N
MW103.19 g/mol
LogP-0.10
Rot. Bonds3

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

1-deuterio-N,N-dimethylpropane-1,3-diamine (PubChem CID 175974134) has the molecular formula C5H14N2 and a molecular weight of 103.19 g/mol. Its IUPAC name is 1-deuterio-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-deuterio-N,N-dimethylpropane-1,3-diamine
PubChem CID175974134
Molecular FormulaC5H14N2
Molecular Weight103.19 g/mol
Exact Mass103.12
IUPAC Name1-deuterio-N,N-dimethylpropane-1,3-diamine
SMILES[2H]C(CCN)N(C)C
InChIInChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3/i5D
InChIKeyIUNMPGNGSSIWFP-UICOGKGYSA-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 ≤ 500103.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
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N',N'-dimethylpentane-1,5-diamine
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CID 136917319
N',N'-dimethylpropane-1,3-diamine;docosane
CID 174425037
3-[3-aminopropyl(methyl)amino]propane-1-thiol
CID 88890583
3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate
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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of 1-deuterio-N,N-dimethylpropane-1,3-diamine (CID 175974134) is 1-deuterio-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-deuterio-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-deuterio-N,N-dimethylpropane-1,3-diamine is [2H]C(CCN)N(C)C.
What is the InChIKey of 1-deuterio-N,N-dimethylpropane-1,3-diamine?
The InChIKey is IUNMPGNGSSIWFP-UICOGKGYSA-N. The full InChI is InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3/i5D.
What are the key properties of 1-deuterio-N,N-dimethylpropane-1,3-diamine?
1-deuterio-N,N-dimethylpropane-1,3-diamine has a molecular weight of 103.19 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 1-deuterio-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 175974134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).