N-methyl-3,4-dihydro-2H-azepin-5-amine

C7H12N2 — CID 142102774

IUPACN-methyl-3,4-dihydro-2H-azepin-5-amine
SMILESCNC1=CC=NCCC1
InChIInChI=1S/C7H12N2/c1-8-7-3-2-5-9-6-4-7/h4,6,8H,2-3,5H2,1H3
InChIKeyRCLAQYCQQURKFP-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds1

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

N-methyl-3,4-dihydro-2H-azepin-5-amine (PubChem CID 142102774) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-3,4-dihydro-2H-azepin-5-amine.

Molecular Properties

Compound NameN-methyl-3,4-dihydro-2H-azepin-5-amine
PubChem CID142102774
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-3,4-dihydro-2H-azepin-5-amine
SMILESCNC1=CC=NCCC1
InChIInChI=1S/C7H12N2/c1-8-7-3-2-5-9-6-4-7/h4,6,8H,2-3,5H2,1H3
InChIKeyRCLAQYCQQURKFP-UHFFFAOYSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20545045
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6-imino-N-methylhex-4-en-1-amine
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(Z)-1-methyliminopent-2-en-3-amine
CID 129017150
7-(2,2-dimethylpropyl)-1H-1,4-diazepine
CID 129276531
N-methyl-3,4-dihydro-2H-azepin-4-amine
CID 138744955
(Z)-N-methyl-4-(prop-2-enylideneamino)hex-4-en-2-amine
CID 141785733
N-methyl-2,3-dihydropyridin-4-amine
CID 142907315
N-ethyl-2,3-dihydropyridin-4-amine
CID 142940470
N-methyl-4H-azepin-3-amine
CID 142969725
(Z)-1-iminohex-2-en-3-amine
CID 143008246

Frequently Asked Questions

What is the IUPAC name of N-methyl-3,4-dihydro-2H-azepin-5-amine?
The IUPAC name of N-methyl-3,4-dihydro-2H-azepin-5-amine (CID 142102774) is N-methyl-3,4-dihydro-2H-azepin-5-amine.
What is the SMILES notation for N-methyl-3,4-dihydro-2H-azepin-5-amine?
The canonical SMILES for N-methyl-3,4-dihydro-2H-azepin-5-amine is CNC1=CC=NCCC1.
What is the InChIKey of N-methyl-3,4-dihydro-2H-azepin-5-amine?
The InChIKey is RCLAQYCQQURKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-8-7-3-2-5-9-6-4-7/h4,6,8H,2-3,5H2,1H3.
What are the key properties of N-methyl-3,4-dihydro-2H-azepin-5-amine?
N-methyl-3,4-dihydro-2H-azepin-5-amine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4-dihydro-2H-azepin-5-amine is sourced from PubChem (CID 142102774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).