2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine

C12H32N6 — CID 57293793

IUPAC2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine
SMILESCCCC(NCC(NC)NC)NCC(NC)NC
InChIInChI=1S/C12H32N6/c1-6-7-10(17-8-11(13-2)14-3)18-9-12(15-4)16-5/h10-18H,6-9H2,1-5H3
InChIKeyKTZMGHWFYQWWHF-UHFFFAOYSA-N
MW260.43 g/mol
LogP-1.18
Rot. Bonds12

About 2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine

2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine (PubChem CID 57293793) has the molecular formula C12H32N6 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine.

Molecular Properties

Compound Name2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine
PubChem CID57293793
Molecular FormulaC12H32N6
Molecular Weight260.43 g/mol
Exact Mass260.27
IUPAC Name2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine
SMILESCCCC(NCC(NC)NC)NCC(NC)NC
InChIInChI=1S/C12H32N6/c1-6-7-10(17-8-11(13-2)14-3)18-9-12(15-4)16-5/h10-18H,6-9H2,1-5H3
InChIKeyKTZMGHWFYQWWHF-UHFFFAOYSA-N
XLogP-1.18
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.43
LogP ≤ 5-1.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine with MolForge

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Related Compounds

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CID 154626428
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(1S)-1-N'-[1-(2,2-diethylhydrazinyl)ethyl]-1-N-methylbutane-1,1-diamine
CID 174247891
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4-butylsilyl-1-N,1-N'-dimethylbutane-1,1-diamine
CID 123623936
1-(butan-2-ylamino)pentan-2-ol
CID 21435603
2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine
CID 116960751
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine
CID 154626252
N-methylpentan-2-amine;hydrochloride
CID 42919600
1-chloro-N-methylbutan-1-amine
CID 22396140

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine?
The IUPAC name of 2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine (CID 57293793) is 2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine.
What is the SMILES notation for 2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine?
The canonical SMILES for 2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine is CCCC(NCC(NC)NC)NCC(NC)NC.
What is the InChIKey of 2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine?
The InChIKey is KTZMGHWFYQWWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H32N6/c1-6-7-10(17-8-11(13-2)14-3)18-9-12(15-4)16-5/h10-18H,6-9H2,1-5H3.
What are the key properties of 2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine?
2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine has a molecular weight of 260.43 g/mol, XLogP of -1.18, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine is sourced from PubChem (CID 57293793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).