4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine

C12H26N2 — CID 163926533

IUPAC4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine
SMILESC=C(C)C(CCN)C(CC)CCNC
InChIInChI=1S/C12H26N2/c1-5-11(7-9-14-4)12(6-8-13)10(2)3/h11-12,14H,2,5-9,13H2,1,3-4H3
InChIKeyREYVBKMTKXQRNX-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.16
Rot. Bonds8

About 4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine

4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine (PubChem CID 163926533) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine.

Molecular Properties

Compound Name4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine
PubChem CID163926533
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine
SMILESC=C(C)C(CCN)C(CC)CCNC
InChIInChI=1S/C12H26N2/c1-5-11(7-9-14-4)12(6-8-13)10(2)3/h11-12,14H,2,5-9,13H2,1,3-4H3
InChIKeyREYVBKMTKXQRNX-UHFFFAOYSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine
CID 137469562
1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine
CID 163821883
3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine
CID 163835903
(3S,4R)-3-ethenyl-2-fluoro-N,4,5-trimethylhexan-1-amine
CID 174091403
3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 10081888
Diallylbutylmethylammonium iodide
CID 129824703
2-ethenyl-N-methylhexan-1-amine
CID 13601827
3-(Prop-1-en-2-yl)piperidine
CID 23423742
3-(2-Methylprop-2-en-1-yl)piperidine
CID 53403965
3-(2-Methylprop-2-en-1-yl)pyrrolidine
CID 53733509

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine?
The IUPAC name of 4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine (CID 163926533) is 4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine.
What is the SMILES notation for 4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine?
The canonical SMILES for 4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine is C=C(C)C(CCN)C(CC)CCNC.
What is the InChIKey of 4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine?
The InChIKey is REYVBKMTKXQRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-11(7-9-14-4)12(6-8-13)10(2)3/h11-12,14H,2,5-9,13H2,1,3-4H3.
What are the key properties of 4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine?
4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-methyl-3-prop-1-en-2-ylhexane-1,6-diamine is sourced from PubChem (CID 163926533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).