1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine

C17H35N3 — CID 71092197

IUPAC1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine
SMILESCCCCCC(NC1=CC1)(N(CC)CC)N(CC)CC
InChIInChI=1S/C17H35N3/c1-6-11-12-15-17(18-16-13-14-16,19(7-2)8-3)20(9-4)10-5/h13,18H,6-12,14-15H2,1-5H3
InChIKeyMFYNJTPVHDRBKS-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.78
Rot. Bonds12

About 1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine

1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine (PubChem CID 71092197) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine.

Molecular Properties

Compound Name1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine
PubChem CID71092197
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine
SMILESCCCCCC(NC1=CC1)(N(CC)CC)N(CC)CC
InChIInChI=1S/C17H35N3/c1-6-11-12-15-17(18-16-13-14-16,19(7-2)8-3)20(9-4)10-5/h13,18H,6-12,14-15H2,1-5H3
InChIKeyMFYNJTPVHDRBKS-UHFFFAOYSA-N
XLogP3.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
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-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine
CID 123230761
N,N,3-triethyldodecan-3-amine
CID 150961559
N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine
CID 154429867
N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 167233694
4-[butyl-(dipropylamino)amino]-1-N",1-N"-diethyl-1-N,1-N',1-N'-trimethylbutane-1,1,1-triamine
CID 141087039
undecane-6,6-dithiol
CID 154290055
hexane;molybdenum
CID 162092649
1-pentylcyclopropene
CID 159067584
6,6-dipentylundecane
CID 19690398
9-methyl-N,N-dioctyloctadecan-9-amine;hydrochloride
CID 175484802
hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride
CID 156695998
1-dodecylcyclopropene
CID 22621656

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine?
The IUPAC name of 1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine (CID 71092197) is 1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine.
What is the SMILES notation for 1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine?
The canonical SMILES for 1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine is CCCCCC(NC1=CC1)(N(CC)CC)N(CC)CC.
What is the InChIKey of 1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine?
The InChIKey is MFYNJTPVHDRBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-6-11-12-15-17(18-16-13-14-16,19(7-2)8-3)20(9-4)10-5/h13,18H,6-12,14-15H2,1-5H3.
What are the key properties of 1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine?
1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine has a molecular weight of 281.49 g/mol, XLogP of 3.78, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine is sourced from PubChem (CID 71092197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).