ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine

C20H40N2 — CID 144654679

IUPACethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
SMILESC=C/C(=C\N=C\C)C(C)N(C)C1CCC(C)CC1.CC.CC
InChIInChI=1S/C16H28N2.2C2H6/c1-6-15(12-17-7-2)14(4)18(5)16-10-8-13(3)9-11-16;2*1-2/h6-7,12-14,16H,1,8-11H2,2-5H3;2*1-2H3/b15-12+,17-7+;;
InChIKeyQDDKCHHADUBZKU-JPRDZEPCSA-N
MW308.55 g/mol
LogP6.10
Rot. Bonds5

About ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine

ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 144654679) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
PubChem CID144654679
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Nameethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
SMILESC=C/C(=C\N=C\C)C(C)N(C)C1CCC(C)CC1.CC.CC
InChIInChI=1S/C16H28N2.2C2H6/c1-6-15(12-17-7-2)14(4)18(5)16-10-8-13(3)9-11-16;2*1-2/h6-7,12-14,16H,1,8-11H2,2-5H3;2*1-2H3/b15-12+,17-7+;;
InChIKeyQDDKCHHADUBZKU-JPRDZEPCSA-N
XLogP6.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.10
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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Related Compounds

N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine
CID 123309080
4-[3-(ethylideneamino)-2-methylprop-2-enyl]-N,N-dimethylcyclohexan-1-amine
CID 123460907
N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 123879642
N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 130459822
N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
CID 130459844
N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane
CID 143699563
N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane
CID 144654671
ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
CID 144654677
ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654692
ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
CID 144654727
ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654848
ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
CID 144654864

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine (CID 144654679) is ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine is C=C/C(=C\N=C\C)C(C)N(C)C1CCC(C)CC1.CC.CC.
What is the InChIKey of ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is QDDKCHHADUBZKU-JPRDZEPCSA-N. The full InChI is InChI=1S/C16H28N2.2C2H6/c1-6-15(12-17-7-2)14(4)18(5)16-10-8-13(3)9-11-16;2*1-2/h6-7,12-14,16H,1,8-11H2,2-5H3;2*1-2H3/b15-12+,17-7+;;.
What are the key properties of ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 308.55 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 144654679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).