2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine

C8H13Cl2N — CID 79167060

IUPAC2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine
SMILESCC(NCC(Cl)=CCl)C1CC1
InChIInChI=1S/C8H13Cl2N/c1-6(7-2-3-7)11-5-8(10)4-9/h4,6-7,11H,2-3,5H2,1H3
InChIKeyFBZCKQQNEQOIML-UHFFFAOYSA-N
MW194.10 g/mol
LogP2.69
Rot. Bonds4

About 2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine

2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine (PubChem CID 79167060) has the molecular formula C8H13Cl2N and a molecular weight of 194.10 g/mol. Its IUPAC name is 2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine
PubChem CID79167060
Molecular FormulaC8H13Cl2N
Molecular Weight194.10 g/mol
Exact Mass193.04
IUPAC Name2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine
SMILESCC(NCC(Cl)=CCl)C1CC1
InChIInChI=1S/C8H13Cl2N/c1-6(7-2-3-7)11-5-8(10)4-9/h4,6-7,11H,2-3,5H2,1H3
InChIKeyFBZCKQQNEQOIML-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.10
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine
CID 106437955
2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine
CID 81394329
2-(1-cyclopropylethylamino)-N,N-dimethylacetamide
CID 43214960
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 93082136
3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol
CID 103740416
(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine
CID 115605460
4-(1-cyclopropylethylamino)butan-2-ol
CID 64911110
N-(2,3-dichloroprop-2-enyl)cyclopentanamine
CID 79167999
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
methyl 2-[[(1S)-1-cyclopentylethyl]amino]acetate
CID 81395951
2-bromo-N-[(1S)-1-cycloheptylethyl]prop-2-en-1-amine
CID 81392005

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine (CID 79167060) is 2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine is CC(NCC(Cl)=CCl)C1CC1.
What is the InChIKey of 2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine?
The InChIKey is FBZCKQQNEQOIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2N/c1-6(7-2-3-7)11-5-8(10)4-9/h4,6-7,11H,2-3,5H2,1H3.
What are the key properties of 2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine?
2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine has a molecular weight of 194.10 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(1-cyclopropylethyl)prop-2-en-1-amine is sourced from PubChem (CID 79167060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).