N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine

C14H22N2 — CID 14147486

IUPACN,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine
SMILESCCN(CC)C1=NC=CC2=C(CCCC2)C1
InChIInChI=1S/C14H22N2/c1-3-16(4-2)14-11-13-8-6-5-7-12(13)9-10-15-14/h9-10H,3-8,11H2,1-2H3
InChIKeyINVQGUGZQPNVRC-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.51
Rot. Bonds2

About N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine

N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine (PubChem CID 14147486) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine
PubChem CID14147486
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine
SMILESCCN(CC)C1=NC=CC2=C(CCCC2)C1
InChIInChI=1S/C14H22N2/c1-3-16(4-2)14-11-13-8-6-5-7-12(13)9-10-15-14/h9-10H,3-8,11H2,1-2H3
InChIKeyINVQGUGZQPNVRC-UHFFFAOYSA-N
XLogP3.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
N,N-diethyl-6,7,8,9-tetrahydro-4H-2-benzazepin-3-amine
CID 14147485
N,N-diethyl-5,6,7,8-tetrahydrocyclopenta[d]azepin-4-amine
CID 85844538
N,N-diethyl-4-azabicyclo[5.2.0]nona-1(7),3,5-trien-3-amine
CID 85844542
N,N-diethyl-4,5-dimethyl-3H-azepin-2-amine
CID 172418769
5-butyl-N,N-diethyl-3H-azepin-2-amine
CID 10421037
N-butyl-5-methylidene-N,3-dipropylazepin-2-amine
CID 142121128
N-(3-methyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-ylidene)acetamide
CID 142158220
N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine
CID 5209765

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine?
The IUPAC name of N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine (CID 14147486) is N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine.
What is the SMILES notation for N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine?
The canonical SMILES for N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine is CCN(CC)C1=NC=CC2=C(CCCC2)C1.
What is the InChIKey of N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine?
The InChIKey is INVQGUGZQPNVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-16(4-2)14-11-13-8-6-5-7-12(13)9-10-15-14/h9-10H,3-8,11H2,1-2H3.
What are the key properties of N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine?
N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine has a molecular weight of 218.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine is sourced from PubChem (CID 14147486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).