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

C11H20N2 — CID 139522245

IUPACN-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine
SMILESC=C/C(C)=C\C(=N/N(C)C)C(C)C
InChIInChI=1S/C11H20N2/c1-7-10(4)8-11(9(2)3)12-13(5)6/h7-9H,1H2,2-6H3/b10-8-,12-11+
InChIKeyQASLKOQEQBBZFW-SHCMDWHWSA-N
MW180.29 g/mol
LogP2.69
Rot. Bonds4

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

N-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine (PubChem CID 139522245) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine
PubChem CID139522245
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine
SMILESC=C/C(C)=C\C(=N/N(C)C)C(C)C
InChIInChI=1S/C11H20N2/c1-7-10(4)8-11(9(2)3)12-13(5)6/h7-9H,1H2,2-6H3/b10-8-,12-11+
InChIKeyQASLKOQEQBBZFW-SHCMDWHWSA-N
XLogP2.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.69
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)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine (CID 139522245) is N-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine is C=C/C(C)=C\C(=N/N(C)C)C(C)C.
What is the InChIKey of N-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine?
The InChIKey is QASLKOQEQBBZFW-SHCMDWHWSA-N. The full InChI is InChI=1S/C11H20N2/c1-7-10(4)8-11(9(2)3)12-13(5)6/h7-9H,1H2,2-6H3/b10-8-,12-11+.
What are the key properties of N-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine?
N-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine has a molecular weight of 180.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 139522245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).