N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine

C13H22N2 — CID 143115633

IUPACN-methyl-N-(3-methylpentyl)-3H-azepin-5-amine
SMILESCCC(C)CCN(C)C1=CCC=NC=C1
InChIInChI=1S/C13H22N2/c1-4-12(2)8-11-15(3)13-6-5-9-14-10-7-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyJAEIEUBQIFBLJM-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.23
Rot. Bonds5

About N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine

N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine (PubChem CID 143115633) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylpentyl)-3H-azepin-5-amine
PubChem CID143115633
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-methyl-N-(3-methylpentyl)-3H-azepin-5-amine
SMILESCCC(C)CCN(C)C1=CCC=NC=C1
InChIInChI=1S/C13H22N2/c1-4-12(2)8-11-15(3)13-6-5-9-14-10-7-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyJAEIEUBQIFBLJM-UHFFFAOYSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylpiperidin-1-yl)-3H-azepine
CID 123269294
N-butyl-N,6,6-trimethylazepin-4-amine
CID 123334554
N,N-dimethyl-3-(4,5,6-trimethyl-4,5-dihydro-3H-azepin-7-yl)buta-1,3-dien-1-amine
CID 123833320
N-(3-ethenyl-1-methyl-6-prop-1-en-2-yl-2,5-dihydroazepin-4-yl)-3-methylbutan-2-imine
CID 139316458
2-(3H-azepin-4-yl)-N,N-dimethylethanamine
CID 142206849
ethane;methane;5-piperidin-1-yl-3H-azepine
CID 143115625
N-[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl]-N,6-dimethyl-3H-azepin-5-amine
CID 143271836
N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine
CID 167251762
(E)-N-ethenyl-N-methyl-5-methylidene-1-methyliminonon-3-en-4-amine
CID 169626393
(Z)-N-[[4-(methyliminomethyl)cyclopenta-1,3-dien-1-yl]methyl]-N-prop-1-en-2-ylprop-1-en-1-amine
CID 169987187
(3S)-3-methyl-N-[(3Z)-3-methyl-8-(4-methyl-2,3,4,5-tetrahydroazepin-1-yl)nona-3,8-dien-4-yl]pentan-1-imine
CID 173842687
(3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine
CID 174032640

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine?
The IUPAC name of N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine (CID 143115633) is N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine.
What is the SMILES notation for N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine?
The canonical SMILES for N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine is CCC(C)CCN(C)C1=CCC=NC=C1.
What is the InChIKey of N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine?
The InChIKey is JAEIEUBQIFBLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-12(2)8-11-15(3)13-6-5-9-14-10-7-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine?
N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine has a molecular weight of 206.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine is sourced from PubChem (CID 143115633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).