3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine

C10H18ClN — CID 106438250

IUPAC3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine
SMILESCC(=CCl)CNCC1CC1(C)C
InChIInChI=1S/C10H18ClN/c1-8(5-11)6-12-7-9-4-10(9,2)3/h5,9,12H,4,6-7H2,1-3H3
InChIKeyZLQGOPGMBNGQIV-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.76
Rot. Bonds4

About 3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine

3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine (PubChem CID 106438250) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine
PubChem CID106438250
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine
SMILESCC(=CCl)CNCC1CC1(C)C
InChIInChI=1S/C10H18ClN/c1-8(5-11)6-12-7-9-4-10(9,2)3/h5,9,12H,4,6-7H2,1-3H3
InChIKeyZLQGOPGMBNGQIV-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
CID 106437274
[2-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]cyclopentyl]methanol
CID 106437857
3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
CID 106437912
3-chloro-2-methyl-N-(thian-2-ylmethyl)prop-2-en-1-amine
CID 106437913
5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one
CID 106437797
3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine
CID 106440079
N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine
CID 106437388
3-chloro-N-(3-chloropropyl)-2-methylprop-2-en-1-amine
CID 106439962
N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 107001471
3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine
CID 106437789
2-(chloromethyl)-1,1-dimethylcyclopropane
CID 12627051
3-chloro-2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 106437777

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of 3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine (CID 106438250) is 3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine is CC(=CCl)CNCC1CC1(C)C.
What is the InChIKey of 3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine?
The InChIKey is ZLQGOPGMBNGQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN/c1-8(5-11)6-12-7-9-4-10(9,2)3/h5,9,12H,4,6-7H2,1-3H3.
What are the key properties of 3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine?
3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine has a molecular weight of 187.71 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106438250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).