N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine

C12H24N2 — CID 107173356

IUPACN-methyl-N-(3-methylbut-3-enyl)azepan-4-amine
SMILESC=C(C)CCN(C)C1CCCNCC1
InChIInChI=1S/C12H24N2/c1-11(2)7-10-14(3)12-5-4-8-13-9-6-12/h12-13H,1,4-10H2,2-3H3
InChIKeyDFYFMWPELBCPTK-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds4

About N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine

N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine (PubChem CID 107173356) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbut-3-enyl)azepan-4-amine
PubChem CID107173356
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-methyl-N-(3-methylbut-3-enyl)azepan-4-amine
SMILESC=C(C)CCN(C)C1CCCNCC1
InChIInChI=1S/C12H24N2/c1-11(2)7-10-14(3)12-5-4-8-13-9-6-12/h12-13H,1,4-10H2,2-3H3
InChIKeyDFYFMWPELBCPTK-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[azepan-4-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 107173206
N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
CID 18770418
2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol
CID 107173264
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine
CID 106439564
2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 104979519
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine
CID 107173387
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
3-[methyl(piperidin-4-yl)amino]propan-1-ol
CID 12019499
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine?
The IUPAC name of N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine (CID 107173356) is N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine.
What is the SMILES notation for N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine?
The canonical SMILES for N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine is C=C(C)CCN(C)C1CCCNCC1.
What is the InChIKey of N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine?
The InChIKey is DFYFMWPELBCPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2)7-10-14(3)12-5-4-8-13-9-6-12/h12-13H,1,4-10H2,2-3H3.
What are the key properties of N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine?
N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine is sourced from PubChem (CID 107173356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).