ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine

C21H42N2 — CID 144654677

IUPACethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
SMILESC/C=C\C(=C/N=C/C)CN(C)C1CCC(CC)CC1.CC.CC
InChIInChI=1S/C17H30N2.2C2H6/c1-5-8-16(13-18-7-3)14-19(4)17-11-9-15(6-2)10-12-17;2*1-2/h5,7-8,13,15,17H,6,9-12,14H2,1-4H3;2*1-2H3/b8-5-,16-13+,18-7+;;
InChIKeyWTMRRAJMJMVLKP-HUDCMPISSA-N
MW322.58 g/mol
LogP6.49
Rot. Bonds6

About ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine

ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine (PubChem CID 144654677) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
PubChem CID144654677
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Nameethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
SMILESC/C=C\C(=C/N=C/C)CN(C)C1CCC(CC)CC1.CC.CC
InChIInChI=1S/C17H30N2.2C2H6/c1-5-8-16(13-18-7-3)14-19(4)17-11-9-15(6-2)10-12-17;2*1-2/h5,7-8,13,15,17H,6,9-12,14H2,1-4H3;2*1-2H3/b8-5-,16-13+,18-7+;;
InChIKeyWTMRRAJMJMVLKP-HUDCMPISSA-N
XLogP6.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 56.49
H-Bond Donors ≤ 50
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 ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine?
The IUPAC name of ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine (CID 144654677) is ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine is C/C=C\C(=C/N=C/C)CN(C)C1CCC(CC)CC1.CC.CC.
What is the InChIKey of ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine?
The InChIKey is WTMRRAJMJMVLKP-HUDCMPISSA-N. The full InChI is InChI=1S/C17H30N2.2C2H6/c1-5-8-16(13-18-7-3)14-19(4)17-11-9-15(6-2)10-12-17;2*1-2/h5,7-8,13,15,17H,6,9-12,14H2,1-4H3;2*1-2H3/b8-5-,16-13+,18-7+;;.
What are the key properties of ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine?
ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine has a molecular weight of 322.58 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 144654677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).