1-N'-decylethane-1,1,2-triamine

C12H29N3 — CID 57125344

IUPAC1-N'-decylethane-1,1,2-triamine
SMILESCCCCCCCCCCNC(N)CN
InChIInChI=1S/C12H29N3/c1-2-3-4-5-6-7-8-9-10-15-12(14)11-13/h12,15H,2-11,13-14H2,1H3
InChIKeyKQNYLMHJJFAFPR-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.96
Rot. Bonds11

About 1-N'-decylethane-1,1,2-triamine

1-N'-decylethane-1,1,2-triamine (PubChem CID 57125344) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-N'-decylethane-1,1,2-triamine.

Molecular Properties

Compound Name1-N'-decylethane-1,1,2-triamine
PubChem CID57125344
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name1-N'-decylethane-1,1,2-triamine
SMILESCCCCCCCCCCNC(N)CN
InChIInChI=1S/C12H29N3/c1-2-3-4-5-6-7-8-9-10-15-12(14)11-13/h12,15H,2-11,13-14H2,1H3
InChIKeyKQNYLMHJJFAFPR-UHFFFAOYSA-N
XLogP1.96
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-decylpropane-1,1-diamine
CID 19822794
N"-octylmethanetriamine
CID 139788026
1-N'-nonylethane-1,1-diamine
CID 141374358
2-amino-1-(pentylamino)ethanol
CID 88684452
2-N-dodecyl-3-methylbutane-1,2-diamine
CID 106345395
1-N'-pentylethane-1,1-diamine
CID 87708859
1-N'-butylpropane-1,1-diamine
CID 22184083
N-(1-hydrazinylethyl)dodecan-1-amine
CID 175203643
2-N-dodecylbutane-1,2,4-triamine
CID 19990016
N-propan-2-ylicosan-1-amine
CID 87246132
3-amino-1-(hexylamino)propan-1-ol
CID 174419599
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169

Frequently Asked Questions

What is the IUPAC name of 1-N'-decylethane-1,1,2-triamine?
The IUPAC name of 1-N'-decylethane-1,1,2-triamine (CID 57125344) is 1-N'-decylethane-1,1,2-triamine.
What is the SMILES notation for 1-N'-decylethane-1,1,2-triamine?
The canonical SMILES for 1-N'-decylethane-1,1,2-triamine is CCCCCCCCCCNC(N)CN.
What is the InChIKey of 1-N'-decylethane-1,1,2-triamine?
The InChIKey is KQNYLMHJJFAFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-2-3-4-5-6-7-8-9-10-15-12(14)11-13/h12,15H,2-11,13-14H2,1H3.
What are the key properties of 1-N'-decylethane-1,1,2-triamine?
1-N'-decylethane-1,1,2-triamine has a molecular weight of 215.38 g/mol, XLogP of 1.96, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-decylethane-1,1,2-triamine is sourced from PubChem (CID 57125344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).