3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane

C15H28N2 — CID 143243958

IUPAC3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane
SMILESC.CC(C)C1(C)C=CC(C(C)(C)C)=C(N)N=C1
InChIInChI=1S/C14H24N2.CH4/c1-10(2)14(6)8-7-11(13(3,4)5)12(15)16-9-14;/h7-10H,15H2,1-6H3;1H4
InChIKeyBVCASUMBNRBACG-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.14
Rot. Bonds1

About 3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane

3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane (PubChem CID 143243958) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane
PubChem CID143243958
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane
SMILESC.CC(C)C1(C)C=CC(C(C)(C)C)=C(N)N=C1
InChIInChI=1S/C14H24N2.CH4/c1-10(2)14(6)8-7-11(13(3,4)5)12(15)16-9-14;/h7-10H,15H2,1-6H3;1H4
InChIKeyBVCASUMBNRBACG-UHFFFAOYSA-N
XLogP4.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane?
The IUPAC name of 3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane (CID 143243958) is 3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane.
What is the SMILES notation for 3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane?
The canonical SMILES for 3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane is C.CC(C)C1(C)C=CC(C(C)(C)C)=C(N)N=C1.
What is the InChIKey of 3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane?
The InChIKey is BVCASUMBNRBACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.CH4/c1-10(2)14(6)8-7-11(13(3,4)5)12(15)16-9-14;/h7-10H,15H2,1-6H3;1H4.
What are the key properties of 3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane?
3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane has a molecular weight of 236.40 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-6-propan-2-ylazepin-2-amine;methane is sourced from PubChem (CID 143243958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).