N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine

C12H22N2 — CID 139521870

IUPACN-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine
SMILESC=C/C(=C\C(=N/N(C)C)C(C)C)CC
InChIInChI=1S/C12H22N2/c1-7-11(8-2)9-12(10(3)4)13-14(5)6/h7,9-10H,1,8H2,2-6H3/b11-9+,13-12+
InChIKeyRHURQQLSVHSXLU-GNDASISDSA-N
MW194.32 g/mol
LogP3.08
Rot. Bonds5

About N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine

N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine (PubChem CID 139521870) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine
PubChem CID139521870
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine
SMILESC=C/C(=C\C(=N/N(C)C)C(C)C)CC
InChIInChI=1S/C12H22N2/c1-7-11(8-2)9-12(10(3)4)13-14(5)6/h7,9-10H,1,8H2,2-6H3/b11-9+,13-12+
InChIKeyRHURQQLSVHSXLU-GNDASISDSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine (CID 139521870) is N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine is C=C/C(=C\C(=N/N(C)C)C(C)C)CC.
What is the InChIKey of N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine?
The InChIKey is RHURQQLSVHSXLU-GNDASISDSA-N. The full InChI is InChI=1S/C12H22N2/c1-7-11(8-2)9-12(10(3)4)13-14(5)6/h7,9-10H,1,8H2,2-6H3/b11-9+,13-12+.
What are the key properties of N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine?
N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine has a molecular weight of 194.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 139521870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).