N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine

C10H19ClN2 — CID 164650351

IUPACN-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCC(NC1CCN(C)C1)C1(Cl)CC1
InChIInChI=1S/C10H19ClN2/c1-8(10(11)4-5-10)12-9-3-6-13(2)7-9/h8-9,12H,3-7H2,1-2H3
InChIKeyVCJJPTHPSMMVFQ-UHFFFAOYSA-N
MW202.73 g/mol
LogP1.44
Rot. Bonds3

About N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine

N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine (PubChem CID 164650351) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine
PubChem CID164650351
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC NameN-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCC(NC1CCN(C)C1)C1(Cl)CC1
InChIInChI=1S/C10H19ClN2/c1-8(10(11)4-5-10)12-9-3-6-13(2)7-9/h8-9,12H,3-7H2,1-2H3
InChIKeyVCJJPTHPSMMVFQ-UHFFFAOYSA-N
XLogP1.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142350050
N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 164650333
N-[(1S)-1-cycloheptylethyl]-1-methylpyrrolidin-3-amine
CID 81391420
N-(1-cyclohexylethyl)-1-methylpyrrolidin-3-amine
CID 61462202
N,N-dimethyl-2-[(1-methylpyrrolidin-3-yl)amino]propanamide
CID 61462353
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine
CID 94474733
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
3-[(1-methylpyrrolidin-3-yl)amino]butanenitrile
CID 61462253
2-methyl-3-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
CID 79390901
N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949868
(3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine
CID 97358828

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine (CID 164650351) is N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine is CC(NC1CCN(C)C1)C1(Cl)CC1.
What is the InChIKey of N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine?
The InChIKey is VCJJPTHPSMMVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-8(10(11)4-5-10)12-9-3-6-13(2)7-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine?
N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine has a molecular weight of 202.73 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 164650351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).