4-methyl-2-propan-2-ylazepin-4-amine

C10H16N2 — CID 135136380

IUPAC4-methyl-2-propan-2-ylazepin-4-amine
SMILESCC(C)C1=CC(C)(N)C=CC=N1
InChIInChI=1S/C10H16N2/c1-8(2)9-7-10(3,11)5-4-6-12-9/h4-8H,11H2,1-3H3
InChIKeySYXADJDLTKIEFR-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.88
Rot. Bonds1

About 4-methyl-2-propan-2-ylazepin-4-amine

4-methyl-2-propan-2-ylazepin-4-amine (PubChem CID 135136380) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-methyl-2-propan-2-ylazepin-4-amine.

Molecular Properties

Compound Name4-methyl-2-propan-2-ylazepin-4-amine
PubChem CID135136380
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-methyl-2-propan-2-ylazepin-4-amine
SMILESCC(C)C1=CC(C)(N)C=CC=N1
InChIInChI=1S/C10H16N2/c1-8(2)9-7-10(3,11)5-4-6-12-9/h4-8H,11H2,1-3H3
InChIKeySYXADJDLTKIEFR-UHFFFAOYSA-N
XLogP1.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-ylazepin-4-amine?
The IUPAC name of 4-methyl-2-propan-2-ylazepin-4-amine (CID 135136380) is 4-methyl-2-propan-2-ylazepin-4-amine.
What is the SMILES notation for 4-methyl-2-propan-2-ylazepin-4-amine?
The canonical SMILES for 4-methyl-2-propan-2-ylazepin-4-amine is CC(C)C1=CC(C)(N)C=CC=N1.
What is the InChIKey of 4-methyl-2-propan-2-ylazepin-4-amine?
The InChIKey is SYXADJDLTKIEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)9-7-10(3,11)5-4-6-12-9/h4-8H,11H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-ylazepin-4-amine?
4-methyl-2-propan-2-ylazepin-4-amine has a molecular weight of 164.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-ylazepin-4-amine is sourced from PubChem (CID 135136380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).