7-tert-butyl-6-methyl-2-propylazepin-3-imine

C14H22N2 — CID 123806246

IUPAC7-tert-butyl-6-methyl-2-propylazepin-3-imine
SMILES[H]/N=c1\ccc(C)c(C(C)(C)C)nc1CCC
InChIInChI=1S/C14H22N2/c1-6-7-12-11(15)9-8-10(2)13(16-12)14(3,4)5/h8-9,15H,6-7H2,1-5H3/b15-11+
InChIKeyDZICIBPAMWPVIG-RVDMUPIBSA-N
MW218.34 g/mol
LogP3.12
Rot. Bonds2

About 7-tert-butyl-6-methyl-2-propylazepin-3-imine

7-tert-butyl-6-methyl-2-propylazepin-3-imine (PubChem CID 123806246) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 7-tert-butyl-6-methyl-2-propylazepin-3-imine.

Molecular Properties

Compound Name7-tert-butyl-6-methyl-2-propylazepin-3-imine
PubChem CID123806246
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name7-tert-butyl-6-methyl-2-propylazepin-3-imine
SMILES[H]/N=c1\ccc(C)c(C(C)(C)C)nc1CCC
InChIInChI=1S/C14H22N2/c1-6-7-12-11(15)9-8-10(2)13(16-12)14(3,4)5/h8-9,15H,6-7H2,1-5H3/b15-11+
InChIKeyDZICIBPAMWPVIG-RVDMUPIBSA-N
XLogP3.12
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-tert-butyl-6-methyl-2-propylazepin-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-1-N-[(Z)-pent-2-en-3-yl]cyclohexa-3,5-diene-1,2-diimine
CID 69090791
(3E)-3-but-3-enylidene-4,6,9-trimethyl-2,5-diazabicyclo[5.5.0]dodeca-1,4,6,9,11-pentaene
CID 123146075
2,7,7-Trimethyl-3,4-dihydrocyclohepta[b]pyridine
CID 123783439
(4Z)-4-(5-methylpyrrol-2-ylidene)hex-1-en-3-imine
CID 126592324
N-[(Z)-4-ethenyl-2,2-dimethylhept-3-en-3-yl]butan-2-imine
CID 132183042
ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine
CID 143202821
ethane;(1Z)-1-(6-iminocyclohex-2-en-1-ylidene)ethanamine
CID 144731273
ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine
CID 145498119
ethane;(2Z)-3-ethenyl-4-methyliminohexa-2,5-dien-2-amine
CID 153624018
4-ethyl-2,7-dimethyl-3H-azepin-5-amine
CID 156329671
(3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene
CID 164855596
2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine
CID 166691198

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-6-methyl-2-propylazepin-3-imine?
The IUPAC name of 7-tert-butyl-6-methyl-2-propylazepin-3-imine (CID 123806246) is 7-tert-butyl-6-methyl-2-propylazepin-3-imine.
What is the SMILES notation for 7-tert-butyl-6-methyl-2-propylazepin-3-imine?
The canonical SMILES for 7-tert-butyl-6-methyl-2-propylazepin-3-imine is [H]/N=c1\ccc(C)c(C(C)(C)C)nc1CCC.
What is the InChIKey of 7-tert-butyl-6-methyl-2-propylazepin-3-imine?
The InChIKey is DZICIBPAMWPVIG-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-7-12-11(15)9-8-10(2)13(16-12)14(3,4)5/h8-9,15H,6-7H2,1-5H3/b15-11+.
What are the key properties of 7-tert-butyl-6-methyl-2-propylazepin-3-imine?
7-tert-butyl-6-methyl-2-propylazepin-3-imine has a molecular weight of 218.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-6-methyl-2-propylazepin-3-imine is sourced from PubChem (CID 123806246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).