N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine

C10H20N2 — CID 174070423

IUPACN-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine
SMILESC/C=C\C(C)[C@@H](C)/C=N\N(C)C
InChIInChI=1S/C10H20N2/c1-6-7-9(2)10(3)8-11-12(4)5/h6-10H,1-5H3/b7-6-,11-8-/t9?,10-/m0/s1
InChIKeyAUAPSODUSVXLPJ-CUMFTUFJSA-N
MW168.28 g/mol
LogP2.38
Rot. Bonds4

About N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine

N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine (PubChem CID 174070423) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine
PubChem CID174070423
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine
SMILESC/C=C\C(C)[C@@H](C)/C=N\N(C)C
InChIInChI=1S/C10H20N2/c1-6-7-9(2)10(3)8-11-12(4)5/h6-10H,1-5H3/b7-6-,11-8-/t9?,10-/m0/s1
InChIKeyAUAPSODUSVXLPJ-CUMFTUFJSA-N
XLogP2.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine (CID 174070423) is N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine is C/C=C\C(C)[C@@H](C)/C=N\N(C)C.
What is the InChIKey of N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine?
The InChIKey is AUAPSODUSVXLPJ-CUMFTUFJSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-7-9(2)10(3)8-11-12(4)5/h6-10H,1-5H3/b7-6-,11-8-/t9?,10-/m0/s1.
What are the key properties of N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine?
N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine has a molecular weight of 168.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z,2R)-2,3-dimethylhex-4-enylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 174070423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).