(5-methyl-3H-azepin-4-yl)methanamine

C8H12N2 — CID 142030265

IUPAC(5-methyl-3H-azepin-4-yl)methanamine
SMILESCC1=C(CN)CC=NC=C1
InChIInChI=1S/C8H12N2/c1-7-2-4-10-5-3-8(7)6-9/h2,4-5H,3,6,9H2,1H3
InChIKeyDYZSSFWRXAODMJ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.25
Rot. Bonds1

About (5-methyl-3H-azepin-4-yl)methanamine

(5-methyl-3H-azepin-4-yl)methanamine (PubChem CID 142030265) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (5-methyl-3H-azepin-4-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-3H-azepin-4-yl)methanamine
PubChem CID142030265
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(5-methyl-3H-azepin-4-yl)methanamine
SMILESCC1=C(CN)CC=NC=C1
InChIInChI=1S/C8H12N2/c1-7-2-4-10-5-3-8(7)6-9/h2,4-5H,3,6,9H2,1H3
InChIKeyDYZSSFWRXAODMJ-UHFFFAOYSA-N
XLogP1.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3H-azepin-5-yl)propan-1-amine
CID 57125134
(E)-4-ethenylimino-2-ethylbut-2-en-1-amine
CID 89270126
4-ethyl-5-methyl-3H-azepine
CID 123732674
(1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine
CID 130329270
(1Z,3Z,4E)-6-ethenylimino-3-ethylidenehexa-1,4-dien-1-amine
CID 132124211
(E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine
CID 135231414
(1E,3Z)-3-ethenyl-4-methyl-5-methyliminopenta-1,3-dien-1-amine
CID 139402866
ethane;4-methyl-3H-azepine
CID 141823645
3,5-Dimethylazepin-3-amine
CID 141929193
ethane;5-methyl-3H-azepine
CID 141986210
1-(3H-azepin-4-yl)-N,N-dimethylmethanamine
CID 142207317
4,5-dimethyl-3H-azepine;ethane
CID 142226991

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3H-azepin-4-yl)methanamine?
The IUPAC name of (5-methyl-3H-azepin-4-yl)methanamine (CID 142030265) is (5-methyl-3H-azepin-4-yl)methanamine.
What is the SMILES notation for (5-methyl-3H-azepin-4-yl)methanamine?
The canonical SMILES for (5-methyl-3H-azepin-4-yl)methanamine is CC1=C(CN)CC=NC=C1.
What is the InChIKey of (5-methyl-3H-azepin-4-yl)methanamine?
The InChIKey is DYZSSFWRXAODMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-2-4-10-5-3-8(7)6-9/h2,4-5H,3,6,9H2,1H3.
What are the key properties of (5-methyl-3H-azepin-4-yl)methanamine?
(5-methyl-3H-azepin-4-yl)methanamine has a molecular weight of 136.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3H-azepin-4-yl)methanamine is sourced from PubChem (CID 142030265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).