N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine

C20H32N2 — CID 142053077

IUPACN-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine
SMILESCCC/C(C)=C(/CCCC1=NCC=C(CC)C=C1)N=C(C)C
InChIInChI=1S/C20H32N2/c1-6-9-17(5)20(22-16(3)4)11-8-10-19-13-12-18(7-2)14-15-21-19/h12-14H,6-11,15H2,1-5H3/b20-17-
InChIKeyZKOBATIVGGIGOF-JZJYNLBNSA-N
MW300.49 g/mol
LogP6.06
Rot. Bonds8

About N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine

N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine (PubChem CID 142053077) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine
PubChem CID142053077
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC NameN-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine
SMILESCCC/C(C)=C(/CCCC1=NCC=C(CC)C=C1)N=C(C)C
InChIInChI=1S/C20H32N2/c1-6-9-17(5)20(22-16(3)4)11-8-10-19-13-12-18(7-2)14-15-21-19/h12-14H,6-11,15H2,1-5H3/b20-17-
InChIKeyZKOBATIVGGIGOF-JZJYNLBNSA-N
XLogP6.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine with MolForge

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Related Compounds

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CID 57009148
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CID 90753658
N-(3-ethyl-7-hexyl-2H-azepin-5-yl)but-3-en-2-imine
CID 90804107
N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
CID 91314131
N-(4-ethyl-2,7-dimethyl-2H-azepin-5-yl)-5-methyloct-6-en-2-imine
CID 91493860
N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine
CID 118518097
(3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine
CID 122582714
(3E)-3-but-3-enylidene-4,6,9-trimethyl-2,5-diazabicyclo[5.5.0]dodeca-1,4,6,9,11-pentaene
CID 123146075
3-[1-[(5Z)-3,4,7,8-tetrahydro-2H-azonin-9-yl]ethylideneamino]cyclohepta-2,4-dien-1-imine
CID 123147386
N-[(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)methyl]pent-1-en-3-imine
CID 123341161
(3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine
CID 123467502
(4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine
CID 123885176

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine?
The IUPAC name of N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine (CID 142053077) is N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine.
What is the SMILES notation for N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine?
The canonical SMILES for N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine is CCC/C(C)=C(/CCCC1=NCC=C(CC)C=C1)N=C(C)C.
What is the InChIKey of N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine?
The InChIKey is ZKOBATIVGGIGOF-JZJYNLBNSA-N. The full InChI is InChI=1S/C20H32N2/c1-6-9-17(5)20(22-16(3)4)11-8-10-19-13-12-18(7-2)14-15-21-19/h12-14H,6-11,15H2,1-5H3/b20-17-.
What are the key properties of N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine?
N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine has a molecular weight of 300.49 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-ethyl-2H-azepin-7-yl)-5-methyloct-4-en-4-yl]propan-2-imine is sourced from PubChem (CID 142053077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).