8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine

C14H20N2 — CID 177171106

IUPAC8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine
SMILESCC(C)C1=CC=C2C=CC(C)C2(C)C(N)=N1
InChIInChI=1S/C14H20N2/c1-9(2)12-8-7-11-6-5-10(3)14(11,4)13(15)16-12/h5-10H,1-4H3,(H2,15,16)
InChIKeyOODXTUCSIGYLIN-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.04
Rot. Bonds1

About 8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine

8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine (PubChem CID 177171106) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine.

Molecular Properties

Compound Name8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine
PubChem CID177171106
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine
SMILESCC(C)C1=CC=C2C=CC(C)C2(C)C(N)=N1
InChIInChI=1S/C14H20N2/c1-9(2)12-8-7-11-6-5-10(3)14(11,4)13(15)16-12/h5-10H,1-4H3,(H2,15,16)
InChIKeyOODXTUCSIGYLIN-UHFFFAOYSA-N
XLogP3.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine?
The IUPAC name of 8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine (CID 177171106) is 8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine.
What is the SMILES notation for 8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine?
The canonical SMILES for 8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine is CC(C)C1=CC=C2C=CC(C)C2(C)C(N)=N1.
What is the InChIKey of 8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine?
The InChIKey is OODXTUCSIGYLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9(2)12-8-7-11-6-5-10(3)14(11,4)13(15)16-12/h5-10H,1-4H3,(H2,15,16).
What are the key properties of 8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine?
8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine has a molecular weight of 216.33 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8a-dimethyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine is sourced from PubChem (CID 177171106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).