N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine

C13H20N2 — CID 134989531

IUPACN,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine
SMILESCCN(CC)C1=NCC=CC2=C1CCC2
InChIInChI=1S/C13H20N2/c1-3-15(4-2)13-12-9-5-7-11(12)8-6-10-14-13/h6,8H,3-5,7,9-10H2,1-2H3
InChIKeyWCTZWQCYYVMNQU-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.78
Rot. Bonds2

About N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine

N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine (PubChem CID 134989531) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine
PubChem CID134989531
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine
SMILESCCN(CC)C1=NCC=CC2=C1CCC2
InChIInChI=1S/C13H20N2/c1-3-15(4-2)13-12-9-5-7-11(12)8-6-10-14-13/h6,8H,3-5,7,9-10H2,1-2H3
InChIKeyWCTZWQCYYVMNQU-UHFFFAOYSA-N
XLogP2.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[b]azepin-2-amine
CID 85844532
N,N-diethyl-5,6,7,8-tetrahydrocyclopenta[d]azepin-4-amine
CID 85844538
2-(Cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole
CID 70856844
2-(Cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole
CID 71018247
(4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole
CID 89192494
5-But-3-enyl-2-(cyclohexen-1-yl)-1,4-dimethyl-4,5-dihydroimidazole
CID 89192507
N-butyl-5-methylidene-N,3-dipropylazepin-2-amine
CID 142121128
(2E)-N-ethyl-2-ethylidene-N,N'-dimethylhexanimidamide
CID 144206755
2-Cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole
CID 102086658

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine?
The IUPAC name of N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine (CID 134989531) is N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine.
What is the SMILES notation for N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine?
The canonical SMILES for N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine is CCN(CC)C1=NCC=CC2=C1CCC2.
What is the InChIKey of N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine?
The InChIKey is WCTZWQCYYVMNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-15(4-2)13-12-9-5-7-11(12)8-6-10-14-13/h6,8H,3-5,7,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine?
N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine is sourced from PubChem (CID 134989531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).