(2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine

C14H26N2 — CID 146254087

IUPAC(2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine
SMILESC/N=C(\C)CC/C(C)=C/CC/C(C)=C/CN
InChIInChI=1S/C14H26N2/c1-12(8-9-14(3)16-4)6-5-7-13(2)10-11-15/h6,10H,5,7-9,11,15H2,1-4H3/b12-6+,13-10+,16-14+
InChIKeyXIAGECXQZUULBY-LLCAYLNRSA-N
MW222.38 g/mol
LogP3.49
Rot. Bonds7

About (2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine

(2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine (PubChem CID 146254087) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine
PubChem CID146254087
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine
SMILESC/N=C(\C)CC/C(C)=C/CC/C(C)=C/CN
InChIInChI=1S/C14H26N2/c1-12(8-9-14(3)16-4)6-5-7-13(2)10-11-15/h6,10H,5,7-9,11,15H2,1-4H3/b12-6+,13-10+,16-14+
InChIKeyXIAGECXQZUULBY-LLCAYLNRSA-N
XLogP3.49
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 68983224
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CID 69247064
2-[2-(N-ethyl-C-methylcarbonimidoyl)cyclopentylidene]ethanamine
CID 91180465
2-[2-(C,N-dimethylcarbonimidoyl)cyclopentylidene]ethanamine
CID 91468924
1-[[(2E)-8-methylidenedeca-2,9-dien-4-ylidene]amino]propan-1-amine
CID 123286955
4-N,6-dimethylhept-5-ene-3,4-diimine
CID 123398859
(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine
CID 123422802
1-(2,3-Dihydropyridin-6-yl)-5-methyloct-4-en-1-amine
CID 123499287
(4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine
CID 123742269
N-ethyl-7-methyloct-6-en-2-imine
CID 124009411
2-(4,5-Dimethylhept-4-en-3-ylideneamino)ethanamine
CID 124027387
(5E,9E)-N-ethyl-5,9-dimethylundeca-5,9-dien-2-imine
CID 129180812

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine?
The IUPAC name of (2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine (CID 146254087) is (2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine.
What is the SMILES notation for (2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine?
The canonical SMILES for (2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine is C/N=C(\C)CC/C(C)=C/CC/C(C)=C/CN.
What is the InChIKey of (2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine?
The InChIKey is XIAGECXQZUULBY-LLCAYLNRSA-N. The full InChI is InChI=1S/C14H26N2/c1-12(8-9-14(3)16-4)6-5-7-13(2)10-11-15/h6,10H,5,7-9,11,15H2,1-4H3/b12-6+,13-10+,16-14+.
What are the key properties of (2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine?
(2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine has a molecular weight of 222.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine is sourced from PubChem (CID 146254087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).