N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine

C18H28N2 — CID 43363202

IUPACN-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESCC(NCC(c1ccccc1)N1CCCC1)C1(C)CC1
InChIInChI=1S/C18H28N2/c1-15(18(2)10-11-18)19-14-17(20-12-6-7-13-20)16-8-4-3-5-9-16/h3-5,8-9,15,17,19H,6-7,10-14H2,1-2H3
InChIKeyZKSFMMLBOLASQQ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.60
Rot. Bonds6

About N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine

N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine (PubChem CID 43363202) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
PubChem CID43363202
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESCC(NCC(c1ccccc1)N1CCCC1)C1(C)CC1
InChIInChI=1S/C18H28N2/c1-15(18(2)10-11-18)19-14-17(20-12-6-7-13-20)16-8-4-3-5-9-16/h3-5,8-9,15,17,19H,6-7,10-14H2,1-2H3
InChIKeyZKSFMMLBOLASQQ-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)-N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylethanamine
CID 43363213
1-cyclobutyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
CID 115704706
N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 107234697
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 115704704
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97215316
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine (CID 43363202) is N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine is CC(NCC(c1ccccc1)N1CCCC1)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is ZKSFMMLBOLASQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15(18(2)10-11-18)19-14-17(20-12-6-7-13-20)16-8-4-3-5-9-16/h3-5,8-9,15,17,19H,6-7,10-14H2,1-2H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 43363202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).