N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine

C11H16N2 — CID 123477375

IUPACN-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
SMILESC=CNC1=NC=C(CC)CC=C1C
InChIInChI=1S/C11H16N2/c1-4-10-7-6-9(3)11(12-5-2)13-8-10/h5-6,8H,2,4,7H2,1,3H3,(H,12,13)
InChIKeySHEIDHUQYNGYKD-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.76
Rot. Bonds2

About N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine

N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine (PubChem CID 123477375) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine.

Molecular Properties

Compound NameN-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
PubChem CID123477375
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
SMILESC=CNC1=NC=C(CC)CC=C1C
InChIInChI=1S/C11H16N2/c1-4-10-7-6-9(3)11(12-5-2)13-8-10/h5-6,8H,2,4,7H2,1,3H3,(H,12,13)
InChIKeySHEIDHUQYNGYKD-UHFFFAOYSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
(5Z)-N-ethenyl-5-(2-methylbutylidene)-3,4-dihydro-2H-pyridin-6-amine
CID 90689208
2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide
CID 90783163
(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 91246509
5-ethyl-6-methyl-4H-azepin-7-amine
CID 91252481
(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine
CID 118900424
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
(2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide
CID 123286684
(4Z)-N-ethenyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 123900638
N-ethenyl-5-ethyl-2,3-dihydropyridin-6-amine
CID 123914489
(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine
CID 126659319
(3E)-3-[(E)-3-[(Z)-but-1-enyl]-5-methylhept-3-en-2-ylidene]-N-ethenylpyrrol-2-amine
CID 126660952

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine?
The IUPAC name of N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine (CID 123477375) is N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine.
What is the SMILES notation for N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine?
The canonical SMILES for N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine is C=CNC1=NC=C(CC)CC=C1C.
What is the InChIKey of N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine?
The InChIKey is SHEIDHUQYNGYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-10-7-6-9(3)11(12-5-2)13-8-10/h5-6,8H,2,4,7H2,1,3H3,(H,12,13).
What are the key properties of N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine?
N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine has a molecular weight of 176.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine is sourced from PubChem (CID 123477375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).