3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine

C8H14ClN — CID 106437274

IUPAC3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
SMILESCC(=CCl)CNCC1CC1
InChIInChI=1S/C8H14ClN/c1-7(4-9)5-10-6-8-2-3-8/h4,8,10H,2-3,5-6H2,1H3
InChIKeyFJZRHKUKQALGSG-UHFFFAOYSA-N
MW159.66 g/mol
LogP2.13
Rot. Bonds4

About 3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine

3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine (PubChem CID 106437274) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
PubChem CID106437274
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
SMILESCC(=CCl)CNCC1CC1
InChIInChI=1S/C8H14ClN/c1-7(4-9)5-10-6-8-2-3-8/h4,8,10H,2-3,5-6H2,1H3
InChIKeyFJZRHKUKQALGSG-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine
CID 106438250
[2-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]cyclopentyl]methanol
CID 106437857
3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine
CID 106437789
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
N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine
CID 106437444
3-chloro-N-(3-chloropropyl)-2-methylprop-2-en-1-amine
CID 106439962
N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine
CID 106437575
3-chloro-2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 106437777
N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine
CID 106438266
N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 106438729

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine (CID 106437274) is 3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine is CC(=CCl)CNCC1CC1.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine?
The InChIKey is FJZRHKUKQALGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN/c1-7(4-9)5-10-6-8-2-3-8/h4,8,10H,2-3,5-6H2,1H3.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine?
3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine has a molecular weight of 159.66 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106437274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).