N,6-diethyl-2H-azepin-7-amine

C10H16N2 — CID 143712977

IUPACN,6-diethyl-2H-azepin-7-amine
SMILESCCNC1=NCC=CC=C1CC
InChIInChI=1S/C10H16N2/c1-3-9-7-5-6-8-12-10(9)11-4-2/h5-7H,3-4,8H2,1-2H3,(H,11,12)
InChIKeyWZKSZLORZUHZCR-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds2

About N,6-diethyl-2H-azepin-7-amine

N,6-diethyl-2H-azepin-7-amine (PubChem CID 143712977) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N,6-diethyl-2H-azepin-7-amine.

Molecular Properties

Compound NameN,6-diethyl-2H-azepin-7-amine
PubChem CID143712977
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN,6-diethyl-2H-azepin-7-amine
SMILESCCNC1=NCC=CC=C1CC
InChIInChI=1S/C10H16N2/c1-3-9-7-5-6-8-12-10(9)11-4-2/h5-7H,3-4,8H2,1-2H3,(H,11,12)
InChIKeyWZKSZLORZUHZCR-UHFFFAOYSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Phenyl-1,4,5,6-tetrahydropyrimidine;yttrium
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(3E,5Z)-N-ethyl-N',3,6,7-tetramethylocta-3,5,7-trienimidamide
CID 89311716
2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
CID 90077005
6-ethenyl-3-methylidene-5-N-propan-2-ylazepine-2,5-diamine
CID 90126466
7-ethyl-2,3,4,8-tetrahydro-1H-pyrido[2,3-b]azepine
CID 91251223
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide
CID 91334191
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
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2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
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Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-2H-azepin-7-amine?
The IUPAC name of N,6-diethyl-2H-azepin-7-amine (CID 143712977) is N,6-diethyl-2H-azepin-7-amine.
What is the SMILES notation for N,6-diethyl-2H-azepin-7-amine?
The canonical SMILES for N,6-diethyl-2H-azepin-7-amine is CCNC1=NCC=CC=C1CC.
What is the InChIKey of N,6-diethyl-2H-azepin-7-amine?
The InChIKey is WZKSZLORZUHZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-9-7-5-6-8-12-10(9)11-4-2/h5-7H,3-4,8H2,1-2H3,(H,11,12).
What are the key properties of N,6-diethyl-2H-azepin-7-amine?
N,6-diethyl-2H-azepin-7-amine has a molecular weight of 164.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-2H-azepin-7-amine is sourced from PubChem (CID 143712977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).