N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine

C17H27N — CID 138512900

IUPACN-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine
SMILESC=C(NC)C1CC(C=C(C)C)=C/C(=C/C(C)C)C1
InChIInChI=1S/C17H27N/c1-12(2)7-15-9-16(8-13(3)4)11-17(10-15)14(5)18-6/h7-9,12,17-18H,5,10-11H2,1-4,6H3/b15-7-
InChIKeyPNOUQRDSUNDIIP-CHHVJCJISA-N
MW245.41 g/mol
LogP4.60
Rot. Bonds4

About N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine

N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine (PubChem CID 138512900) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine.

Molecular Properties

Compound NameN-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine
PubChem CID138512900
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine
SMILESC=C(NC)C1CC(C=C(C)C)=C/C(=C/C(C)C)C1
InChIInChI=1S/C17H27N/c1-12(2)7-15-9-16(8-13(3)4)11-17(10-15)14(5)18-6/h7-9,12,17-18H,5,10-11H2,1-4,6H3/b15-7-
InChIKeyPNOUQRDSUNDIIP-CHHVJCJISA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine?
The IUPAC name of N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine (CID 138512900) is N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine.
What is the SMILES notation for N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine?
The canonical SMILES for N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine is C=C(NC)C1CC(C=C(C)C)=C/C(=C/C(C)C)C1.
What is the InChIKey of N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine?
The InChIKey is PNOUQRDSUNDIIP-CHHVJCJISA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)7-15-9-16(8-13(3)4)11-17(10-15)14(5)18-6/h7-9,12,17-18H,5,10-11H2,1-4,6H3/b15-7-.
What are the key properties of N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine?
N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine has a molecular weight of 245.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(5E)-3-(2-methylprop-1-enyl)-5-(2-methylpropylidene)cyclohex-3-en-1-yl]ethenamine is sourced from PubChem (CID 138512900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).