(2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine

C13H20N2 — CID 146522400

IUPAC(2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine
SMILES[H]/N=C/C=C(\C(=C)/C=C\C=C/CC)N(C)C
InChIInChI=1S/C13H20N2/c1-5-6-7-8-9-12(2)13(10-11-14)15(3)4/h6-11,14H,2,5H2,1,3-4H3/b7-6-,9-8-,13-10-,14-11+
InChIKeyUJDSSIJQSOAAFS-UHSNALGHSA-N
MW204.32 g/mol
LogP3.16
Rot. Bonds6

About (2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine

(2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine (PubChem CID 146522400) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine.

Molecular Properties

Compound Name(2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine
PubChem CID146522400
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine
SMILES[H]/N=C/C=C(\C(=C)/C=C\C=C/CC)N(C)C
InChIInChI=1S/C13H20N2/c1-5-6-7-8-9-12(2)13(10-11-14)15(3)4/h6-11,14H,2,5H2,1,3-4H3/b7-6-,9-8-,13-10-,14-11+
InChIKeyUJDSSIJQSOAAFS-UHSNALGHSA-N
XLogP3.16
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine?
The IUPAC name of (2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine (CID 146522400) is (2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine.
What is the SMILES notation for (2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine?
The canonical SMILES for (2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine is [H]/N=C/C=C(\C(=C)/C=C\C=C/CC)N(C)C.
What is the InChIKey of (2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine?
The InChIKey is UJDSSIJQSOAAFS-UHSNALGHSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-6-7-8-9-12(2)13(10-11-14)15(3)4/h6-11,14H,2,5H2,1,3-4H3/b7-6-,9-8-,13-10-,14-11+.
What are the key properties of (2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine?
(2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine has a molecular weight of 204.32 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine is sourced from PubChem (CID 146522400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).