N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine

C12H24N2 — CID 178004585

IUPACN-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine
SMILESC=CN(CC(CC)CC(C)C)/N=C\C
InChIInChI=1S/C12H24N2/c1-6-12(9-11(4)5)10-14(8-3)13-7-2/h7-8,11-12H,3,6,9-10H2,1-2,4-5H3/b13-7-
InChIKeyRONGXSMQPRCLHN-QPEQYQDCSA-N
MW196.34 g/mol
LogP3.51
Rot. Bonds7

About N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine

N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine (PubChem CID 178004585) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine
PubChem CID178004585
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine
SMILESC=CN(CC(CC)CC(C)C)/N=C\C
InChIInChI=1S/C12H24N2/c1-6-12(9-11(4)5)10-14(8-3)13-7-2/h7-8,11-12H,3,6,9-10H2,1-2,4-5H3/b13-7-
InChIKeyRONGXSMQPRCLHN-QPEQYQDCSA-N
XLogP3.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.51
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'}

Analyze N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)
CID 143418802
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
N'-ethenyl-N'-[(Z)-ethylideneamino]-N,N-dimethylethane-1,2-diamine
CID 166999170
4-ethyl-2,7-dimethyloctane
CID 53423923
3-ethylhexane;2-methylhexane;prop-1-ene
CID 144809780
ethene;4-ethylhex-1-ene
CID 159399050
N-ethenyl-2-methyl-N-(methyldiazenyl)propan-1-amine
CID 156718675
N'-ethyl-N'-(2-ethyl-4-methylpentyl)-N,N-dimethylethane-1,2-diamine
CID 178004970
(E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene
CID 176963028
ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene
CID 156818429
4-ethyl-2-methylheptane;methane
CID 160575103
CID 88668128
CID 88668128

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine?
The IUPAC name of N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine (CID 178004585) is N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine.
What is the SMILES notation for N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine?
The canonical SMILES for N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine is C=CN(CC(CC)CC(C)C)/N=C\C.
What is the InChIKey of N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine?
The InChIKey is RONGXSMQPRCLHN-QPEQYQDCSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-12(9-11(4)5)10-14(8-3)13-7-2/h7-8,11-12H,3,6,9-10H2,1-2,4-5H3/b13-7-.
What are the key properties of N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine?
N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine is sourced from PubChem (CID 178004585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).