1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine

C15H37N5 — CID 140879902

IUPAC1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine
SMILESCNC(CCCN)CCN(CCN(C)C)CCN(C)C
InChIInChI=1S/C15H37N5/c1-17-15(7-6-9-16)8-10-20(13-11-18(2)3)14-12-19(4)5/h15,17H,6-14,16H2,1-5H3
InChIKeyPBSFWFQKZXIHPQ-UHFFFAOYSA-N
MW287.50 g/mol
LogP0.13
Rot. Bonds13

About 1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine

1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine (PubChem CID 140879902) has the molecular formula C15H37N5 and a molecular weight of 287.50 g/mol. Its IUPAC name is 1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine.

Molecular Properties

Compound Name1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine
PubChem CID140879902
Molecular FormulaC15H37N5
Molecular Weight287.50 g/mol
Exact Mass287.30
IUPAC Name1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine
SMILESCNC(CCCN)CCN(CCN(C)C)CCN(C)C
InChIInChI=1S/C15H37N5/c1-17-15(7-6-9-16)8-10-20(13-11-18(2)3)14-12-19(4)5/h15,17H,6-14,16H2,1-5H3
InChIKeyPBSFWFQKZXIHPQ-UHFFFAOYSA-N
XLogP0.13
TPSA47.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.50
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N,3-N,7-tetramethyloctane-1,3-diamine
CID 83160965
3-N-(3-aminopropyl)-5-N,5-N-dimethylpentane-1,3,5-triamine
CID 156769993
1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine
CID 79086744
N'-[2-[bis[2-[bis[2-(dimethylamino)ethyl]amino]ethyl]amino]ethyl]-N'-[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N,N,N',N'-tetrakis[2-(dimethylamino)ethyl]propane-1,3-diamine
CID 160549747
(2S)-6-amino-2-(methylamino)hexan-1-ol
CID 59831454
4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol
CID 64789571
N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine
CID 81080602
ethane;2-N,3-N,3-N-trimethylpropane-1,2,3-triamine
CID 164903776
bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
CID 173033128
1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine
CID 79087133
4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol
CID 64789380
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63053033

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine?
The IUPAC name of 1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine (CID 140879902) is 1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine.
What is the SMILES notation for 1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine?
The canonical SMILES for 1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine is CNC(CCCN)CCN(CCN(C)C)CCN(C)C.
What is the InChIKey of 1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine?
The InChIKey is PBSFWFQKZXIHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H37N5/c1-17-15(7-6-9-16)8-10-20(13-11-18(2)3)14-12-19(4)5/h15,17H,6-14,16H2,1-5H3.
What are the key properties of 1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine?
1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine has a molecular weight of 287.50 g/mol, XLogP of 0.13, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis[2-(dimethylamino)ethyl]-3-N-methylhexane-1,3,6-triamine is sourced from PubChem (CID 140879902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).