6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine

C16H26N2 — CID 155203138

IUPAC6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine
SMILESCCC1=CC(C)(N)C(/C(C)=C/CC(C)C)=CN=C1
InChIInChI=1S/C16H26N2/c1-6-14-9-16(5,17)15(11-18-10-14)13(4)8-7-12(2)3/h8-12H,6-7,17H2,1-5H3/b13-8+
InChIKeySENMTJMRCXQKCK-MDWZMJQESA-N
MW246.40 g/mol
LogP4.00
Rot. Bonds4

About 6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine

6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine (PubChem CID 155203138) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine.

Molecular Properties

Compound Name6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine
PubChem CID155203138
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine
SMILESCCC1=CC(C)(N)C(/C(C)=C/CC(C)C)=CN=C1
InChIInChI=1S/C16H26N2/c1-6-14-9-16(5,17)15(11-18-10-14)13(4)8-7-12(2)3/h8-12H,6-7,17H2,1-5H3/b13-8+
InChIKeySENMTJMRCXQKCK-MDWZMJQESA-N
XLogP4.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine?
The IUPAC name of 6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine (CID 155203138) is 6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine.
What is the SMILES notation for 6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine?
The canonical SMILES for 6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine is CCC1=CC(C)(N)C(/C(C)=C/CC(C)C)=CN=C1.
What is the InChIKey of 6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine?
The InChIKey is SENMTJMRCXQKCK-MDWZMJQESA-N. The full InChI is InChI=1S/C16H26N2/c1-6-14-9-16(5,17)15(11-18-10-14)13(4)8-7-12(2)3/h8-12H,6-7,17H2,1-5H3/b13-8+.
What are the key properties of 6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine?
6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-3-[(E)-5-methylhex-2-en-2-yl]azepin-4-amine is sourced from PubChem (CID 155203138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).