4-ethyl-2,5-dimethyl-4H-azepin-7-amine

C10H16N2 — CID 123748203

IUPAC4-ethyl-2,5-dimethyl-4H-azepin-7-amine
SMILESCCC1C=C(C)N=C(N)C=C1C
InChIInChI=1S/C10H16N2/c1-4-9-6-8(3)12-10(11)5-7(9)2/h5-6,9H,4H2,1-3H3,(H2,11,12)
InChIKeyNKANEWNWEDWVNK-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.23
Rot. Bonds1

About 4-ethyl-2,5-dimethyl-4H-azepin-7-amine

4-ethyl-2,5-dimethyl-4H-azepin-7-amine (PubChem CID 123748203) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-ethyl-2,5-dimethyl-4H-azepin-7-amine.

Molecular Properties

Compound Name4-ethyl-2,5-dimethyl-4H-azepin-7-amine
PubChem CID123748203
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-ethyl-2,5-dimethyl-4H-azepin-7-amine
SMILESCCC1C=C(C)N=C(N)C=C1C
InChIInChI=1S/C10H16N2/c1-4-9-6-8(3)12-10(11)5-7(9)2/h5-6,9H,4H2,1-3H3,(H2,11,12)
InChIKeyNKANEWNWEDWVNK-UHFFFAOYSA-N
XLogP2.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide
CID 169247484
2,4-dimethyl-4H-azepin-7-amine
CID 91441162
3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide
CID 143378489
(2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide
CID 155312182
(Z,4Z)-4-ethylidene-N'-[(2Z)-3-methylpenta-2,4-dien-2-yl]hept-2-enimidamide
CID 156256973
(Z,4Z)-4-ethylidene-6-methyl-N'-[(2Z)-3-methylpenta-2,4-dien-2-yl]hept-2-enimidamide
CID 156257147
N'-[(2Z,4E,6Z)-5-butan-2-ylocta-2,4,6-trien-4-yl]propanimidamide
CID 169666018
2,5-dimethyl-4H-azepin-7-amine
CID 169850730
N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide
CID 170024189
N'-[(2Z,4Z)-3-(1-aminoethenyl)-6-ethyl-4,7-dimethylocta-2,4-dien-2-yl]ethanimidamide
CID 170179510
(2Z,4Z)-4-ethylidene-6-methyl-N'-(3-methylbut-2-en-2-yl)nona-2,7,8-trienimidamide
CID 176531459
(2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide
CID 176535548

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-dimethyl-4H-azepin-7-amine?
The IUPAC name of 4-ethyl-2,5-dimethyl-4H-azepin-7-amine (CID 123748203) is 4-ethyl-2,5-dimethyl-4H-azepin-7-amine.
What is the SMILES notation for 4-ethyl-2,5-dimethyl-4H-azepin-7-amine?
The canonical SMILES for 4-ethyl-2,5-dimethyl-4H-azepin-7-amine is CCC1C=C(C)N=C(N)C=C1C.
What is the InChIKey of 4-ethyl-2,5-dimethyl-4H-azepin-7-amine?
The InChIKey is NKANEWNWEDWVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9-6-8(3)12-10(11)5-7(9)2/h5-6,9H,4H2,1-3H3,(H2,11,12).
What are the key properties of 4-ethyl-2,5-dimethyl-4H-azepin-7-amine?
4-ethyl-2,5-dimethyl-4H-azepin-7-amine has a molecular weight of 164.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-dimethyl-4H-azepin-7-amine is sourced from PubChem (CID 123748203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).