3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine

C13H31N3 — CID 88939671

IUPAC3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine
SMILESCC(CN(C)C)C(CCN(C)C)CN(C)C
InChIInChI=1S/C13H31N3/c1-12(10-15(4)5)13(11-16(6)7)8-9-14(2)3/h12-13H,8-11H2,1-7H3
InChIKeyDKZSDKUVTWGTAK-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.31
Rot. Bonds8

About 3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine

3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine (PubChem CID 88939671) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine
PubChem CID88939671
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine
SMILESCC(CN(C)C)C(CCN(C)C)CN(C)C
InChIInChI=1S/C13H31N3/c1-12(10-15(4)5)13(11-16(6)7)8-9-14(2)3/h12-13H,8-11H2,1-7H3
InChIKeyDKZSDKUVTWGTAK-UHFFFAOYSA-N
XLogP1.31
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propane;N,N,3-trimethylbutan-1-amine
CID 144828505
ethane;methanamine;N,N,3-trimethylbutan-1-amine
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N,N,7-trimethyl-2-pentan-2-yloctan-1-amine
CID 170849400
1-N,1-N,2-N,2-N,4-N,4-N-hexamethylbutane-1,2,4-triamine
CID 151532643
3-fluoro-N,N-dimethylbutan-1-amine
CID 142449569
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
N,N,N',N',2-pentamethylhexane-1,6-diamine
CID 161408283
CID 21287725
CID 21287725
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881
(2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine
CID 170265960
5-methoxy-N,N,2,3-tetramethylpentan-1-amine
CID 144662876
1-N,1-N,2-trimethylpentane-1,3,5-triamine
CID 87352361

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine?
The IUPAC name of 3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine (CID 88939671) is 3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine?
The canonical SMILES for 3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine is CC(CN(C)C)C(CCN(C)C)CN(C)C.
What is the InChIKey of 3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine?
The InChIKey is DKZSDKUVTWGTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-12(10-15(4)5)13(11-16(6)7)8-9-14(2)3/h12-13H,8-11H2,1-7H3.
What are the key properties of 3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine?
3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N,N,N',N',2-pentamethylpentane-1,5-diamine is sourced from PubChem (CID 88939671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).