N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine

C11H21ClN2 — CID 106439564

IUPACN-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine
SMILESCC(=CCl)CN(C)C1CCCNCC1
InChIInChI=1S/C11H21ClN2/c1-10(8-12)9-14(2)11-4-3-6-13-7-5-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyOLFLYXVJFPPLGB-UHFFFAOYSA-N
MW216.76 g/mol
LogP2.20
Rot. Bonds3

About N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine

N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine (PubChem CID 106439564) has the molecular formula C11H21ClN2 and a molecular weight of 216.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine
PubChem CID106439564
Molecular FormulaC11H21ClN2
Molecular Weight216.76 g/mol
Exact Mass216.14
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine
SMILESCC(=CCl)CN(C)C1CCCNCC1
InChIInChI=1S/C11H21ClN2/c1-10(8-12)9-14(2)11-4-3-6-13-7-5-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyOLFLYXVJFPPLGB-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.76
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 104979519
N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine
CID 107173356
2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 104979591
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 104979461
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol
CID 107173264
3-[azepan-4-yl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107173279
N-cyclohexyl-N-ethylazepan-4-amine
CID 63904813

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine (CID 106439564) is N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine is CC(=CCl)CN(C)C1CCCNCC1.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine?
The InChIKey is OLFLYXVJFPPLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2/c1-10(8-12)9-14(2)11-4-3-6-13-7-5-11/h8,11,13H,3-7,9H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine?
N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine has a molecular weight of 216.76 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine is sourced from PubChem (CID 106439564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).