N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine

C12H20N2 — CID 123368831

IUPACN-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine
SMILESCNC(C)C1=NC=C(C)C(C)C(C)=C1
InChIInChI=1S/C12H20N2/c1-8-6-12(11(4)13-5)14-7-9(2)10(8)3/h6-7,10-11,13H,1-5H3
InChIKeyMRMXTRIQRCEOCD-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.54
Rot. Bonds2

About N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine

N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine (PubChem CID 123368831) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine
PubChem CID123368831
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine
SMILESCNC(C)C1=NC=C(C)C(C)C(C)=C1
InChIInChI=1S/C12H20N2/c1-8-6-12(11(4)13-5)14-7-9(2)10(8)3/h6-7,10-11,13H,1-5H3
InChIKeyMRMXTRIQRCEOCD-UHFFFAOYSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4,6-trimethyl-2-methyliminohept-5-en-3-amine
CID 123794549
N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine
CID 123919390
(Z)-2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613744
2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613745
1-(3,4-dimethyl-2,3-dihydro-1H-azepin-2-yl)ethanimine
CID 132004014
2-(4H-azepin-7-yl)-N-methylpropan-2-amine;molecular hydrogen
CID 145600488
(4S)-4-[(E)-but-2-en-2-yl]-N-methyl-4,5-dihydro-3H-azepin-6-amine
CID 163592619
(Z)-N,3-dimethyl-6-[(Z)-prop-1-enyl]iminonon-7-en-2-amine
CID 170349364
(E)-1-cyclopropyl-1-methylimino-N-(2-methylprop-1-enyl)hex-2-en-3-amine
CID 170359425
5-ethylimino-N,2,6-trimethylhepta-3,6-dien-3-amine
CID 173756363
(1E,5Z)-3,6,7-trimethyl-8-methylimino-N-prop-1-en-2-ylnona-1,5-dien-1-amine
CID 173912879
5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole
CID 131859475

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine?
The IUPAC name of N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine (CID 123368831) is N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine?
The canonical SMILES for N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine is CNC(C)C1=NC=C(C)C(C)C(C)=C1.
What is the InChIKey of N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine?
The InChIKey is MRMXTRIQRCEOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8-6-12(11(4)13-5)14-7-9(2)10(8)3/h6-7,10-11,13H,1-5H3.
What are the key properties of N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine?
N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine has a molecular weight of 192.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine is sourced from PubChem (CID 123368831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).