N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine

C10H18N2 — CID 91491983

IUPACN-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine
SMILESCCN(C)C1=NC=CCCC1C
InChIInChI=1S/C10H18N2/c1-4-12(3)10-9(2)7-5-6-8-11-10/h6,8-9H,4-5,7H2,1-3H3
InChIKeyCEOODDYZXUBEBT-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.28
Rot. Bonds1

About N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine

N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine (PubChem CID 91491983) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine.

Molecular Properties

Compound NameN-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine
PubChem CID91491983
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine
SMILESCCN(C)C1=NC=CCCC1C
InChIInChI=1S/C10H18N2/c1-4-12(3)10-9(2)7-5-6-8-11-10/h6,8-9H,4-5,7H2,1-3H3
InChIKeyCEOODDYZXUBEBT-UHFFFAOYSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,8-Diazabicyclo(5.4.0)undecen-7-ene
CID 21979529
1-Ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine
CID 10397320
N,N,3-triethyl-3H-azepin-2-amine
CID 85790497
N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine
CID 123537710
4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine
CID 129191316
N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide
CID 131999138
4-Tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine
CID 134277280
N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine
CID 137413297
N,4-dimethyl-1-propan-2-yl-3,4-dihydropyridin-2-imine;ethane
CID 142616651
N,4-dimethyl-1-propan-2-yl-3,4-dihydropyridin-2-imine
CID 142616652
N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 143071579
ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine
CID 163400517

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine?
The IUPAC name of N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine (CID 91491983) is N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine.
What is the SMILES notation for N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine?
The canonical SMILES for N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine is CCN(C)C1=NC=CCCC1C.
What is the InChIKey of N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine?
The InChIKey is CEOODDYZXUBEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-12(3)10-9(2)7-5-6-8-11-10/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine?
N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine has a molecular weight of 166.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine is sourced from PubChem (CID 91491983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).