N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine

C15H26N2 — CID 135079077

IUPACN-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
SMILESCCCCC#C/C(=C\C=N\N(C)C)CCCC
InChIInChI=1S/C15H26N2/c1-5-7-9-10-12-15(11-8-6-2)13-14-16-17(3)4/h13-14H,5-9,11H2,1-4H3/b15-13-,16-14+
InChIKeyQYTWFCWHVUSZJA-VCFJNTAESA-N
MW234.39 g/mol
LogP3.84
Rot. Bonds7

About N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine

N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine (PubChem CID 135079077) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
PubChem CID135079077
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
SMILESCCCCC#C/C(=C\C=N\N(C)C)CCCC
InChIInChI=1S/C15H26N2/c1-5-7-9-10-12-15(11-8-6-2)13-14-16-17(3)4/h13-14H,5-9,11H2,1-4H3/b15-13-,16-14+
InChIKeyQYTWFCWHVUSZJA-VCFJNTAESA-N
XLogP3.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-cyclohexen-1-ylmethylideneamino]-N-methylmethanamine
CID 11400875
N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine
CID 11160292
N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
CID 11390132
Ethylhexenal dimethylhydrazone
CID 129817052
N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine
CID 135080051
2,6,10-Dodecatriene-1-imine, 3,7,11-trimethyl-1-(dimethylamino)-
CID 9602870
N-[(E)-[(2E,16E,18E)-18-(dimethylhydrazinylidene)octadeca-2,16-dien-8,10-diynylidene]amino]-N-methylmethanamine
CID 11035629
N-methyl-N-[(E)-[(E)-2-methyldec-2-enylidene]amino]methanamine
CID 24740809
N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine
CID 177450859
cyclohex-1-ene-carboxaldehyde-N,N-dimethylhydrazone
CID 56624907
(Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine
CID 143889150
N-methyl-N-[(E)-[(E)-2-methylhex-2-enylidene]amino]methanamine
CID 10997261

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine (CID 135079077) is N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine is CCCCC#C/C(=C\C=N\N(C)C)CCCC.
What is the InChIKey of N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine?
The InChIKey is QYTWFCWHVUSZJA-VCFJNTAESA-N. The full InChI is InChI=1S/C15H26N2/c1-5-7-9-10-12-15(11-8-6-2)13-14-16-17(3)4/h13-14H,5-9,11H2,1-4H3/b15-13-,16-14+.
What are the key properties of N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine?
N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine has a molecular weight of 234.39 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 135079077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).