(2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine

C13H25N3 — CID 118363217

IUPAC(2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine
SMILESC/C=C\C(=C/C)\C(=C\C(CC)N(C)N)NC
InChIInChI=1S/C13H25N3/c1-6-9-11(7-2)13(15-4)10-12(8-3)16(5)14/h6-7,9-10,12,15H,8,14H2,1-5H3/b9-6-,11-7+,13-10-
InChIKeyONBCKTMUGPABET-SXIWGXCUSA-N
MW223.36 g/mol
LogP2.20
Rot. Bonds6

About (2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine

(2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine (PubChem CID 118363217) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine.

Molecular Properties

Compound Name(2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine
PubChem CID118363217
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine
SMILESC/C=C\C(=C/C)\C(=C\C(CC)N(C)N)NC
InChIInChI=1S/C13H25N3/c1-6-9-11(7-2)13(15-4)10-12(8-3)16(5)14/h6-7,9-10,12,15H,8,14H2,1-5H3/b9-6-,11-7+,13-10-
InChIKeyONBCKTMUGPABET-SXIWGXCUSA-N
XLogP2.20
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(2Z,3E)-2-ethylidene-1-N-methylhexa-3,5-diene-1,3-diamine
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(1E,3E)-N-methyl-N'-[(2E)-4-methylidenehexa-2,5-dien-3-yl]buta-1,3-diene-1,4-diamine
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1-(3-Ethenylhept-3-en-2-yl)-1-methylhydrazine
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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine?
The IUPAC name of (2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine (CID 118363217) is (2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine.
What is the SMILES notation for (2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine?
The canonical SMILES for (2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine is C/C=C\C(=C/C)\C(=C\C(CC)N(C)N)NC.
What is the InChIKey of (2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine?
The InChIKey is ONBCKTMUGPABET-SXIWGXCUSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-9-11(7-2)13(15-4)10-12(8-3)16(5)14/h6-7,9-10,12,15H,8,14H2,1-5H3/b9-6-,11-7+,13-10-.
What are the key properties of (2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine?
(2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine has a molecular weight of 223.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine is sourced from PubChem (CID 118363217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).