N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine

C18H30N2 — CID 87313301

IUPACN-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine
SMILESC=C/C(CC)=N\CC1CCC(C/N=C(\C=C)CC)CC1
InChIInChI=1S/C18H30N2/c1-5-17(6-2)19-13-15-9-11-16(12-10-15)14-20-18(7-3)8-4/h5,7,15-16H,1,3,6,8-14H2,2,4H3/b19-17+,20-18+
InChIKeyWJLBBFKFIKLRFY-XPWSMXQVSA-N
MW274.45 g/mol
LogP4.87
Rot. Bonds8

About N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine

N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine (PubChem CID 87313301) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine.

Molecular Properties

Compound NameN-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine
PubChem CID87313301
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine
SMILESC=C/C(CC)=N\CC1CCC(C/N=C(\C=C)CC)CC1
InChIInChI=1S/C18H30N2/c1-5-17(6-2)19-13-15-9-11-16(12-10-15)14-20-18(7-3)8-4/h5,7,15-16H,1,3,6,8-14H2,2,4H3/b19-17+,20-18+
InChIKeyWJLBBFKFIKLRFY-XPWSMXQVSA-N
XLogP4.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine?
The IUPAC name of N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine (CID 87313301) is N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine.
What is the SMILES notation for N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine?
The canonical SMILES for N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine is C=C/C(CC)=N\CC1CCC(C/N=C(\C=C)CC)CC1.
What is the InChIKey of N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine?
The InChIKey is WJLBBFKFIKLRFY-XPWSMXQVSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-17(6-2)19-13-15-9-11-16(12-10-15)14-20-18(7-3)8-4/h5,7,15-16H,1,3,6,8-14H2,2,4H3/b19-17+,20-18+.
What are the key properties of N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine?
N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine has a molecular weight of 274.45 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(pent-1-en-3-ylideneamino)methyl]cyclohexyl]methyl]pent-1-en-3-imine is sourced from PubChem (CID 87313301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).