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

C10H18Cl2N2 — CID 79167933

IUPAC2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
SMILESClC=C(Cl)CNCCCN1CCCC1
InChIInChI=1S/C10H18Cl2N2/c11-8-10(12)9-13-4-3-7-14-5-1-2-6-14/h8,13H,1-7,9H2
InChIKeyATNUEDWCQFOWFC-UHFFFAOYSA-N
MW237.17 g/mol
LogP2.38
Rot. Bonds6

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

2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine (PubChem CID 79167933) has the molecular formula C10H18Cl2N2 and a molecular weight of 237.17 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
PubChem CID79167933
Molecular FormulaC10H18Cl2N2
Molecular Weight237.17 g/mol
Exact Mass236.08
IUPAC Name2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
SMILESClC=C(Cl)CNCCCN1CCCC1
InChIInChI=1S/C10H18Cl2N2/c11-8-10(12)9-13-4-3-7-14-5-1-2-6-14/h8,13H,1-7,9H2
InChIKeyATNUEDWCQFOWFC-UHFFFAOYSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
CID 60673794
2-methyl-3-phenyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
CID 68681903
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
(E)-4-(3-pyrrolidin-1-ylpropylamino)but-2-enoic acid
CID 103250636
3-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60669793
4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 106122021
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine (CID 79167933) is 2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine is ClC=C(Cl)CNCCCN1CCCC1.
What is the InChIKey of 2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine?
The InChIKey is ATNUEDWCQFOWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl2N2/c11-8-10(12)9-13-4-3-7-14-5-1-2-6-14/h8,13H,1-7,9H2.
What are the key properties of 2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine?
2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine has a molecular weight of 237.17 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 79167933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).