1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine

C18H28N2 — CID 106604438

IUPAC1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESCCc1ccccc1CN(CC1CC1)CC1CCCN1
InChIInChI=1S/C18H28N2/c1-2-16-6-3-4-7-17(16)13-20(12-15-9-10-15)14-18-8-5-11-19-18/h3-4,6-7,15,18-19H,2,5,8-14H2,1H3
InChIKeyRRVJMLRENRIIDZ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.21
Rot. Bonds7

About 1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine

1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine (PubChem CID 106604438) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
PubChem CID106604438
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESCCc1ccccc1CN(CC1CC1)CC1CCCN1
InChIInChI=1S/C18H28N2/c1-2-16-6-3-4-7-17(16)13-20(12-15-9-10-15)14-18-8-5-11-19-18/h3-4,6-7,15,18-19H,2,5,8-14H2,1H3
InChIKeyRRVJMLRENRIIDZ-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604598
N-[[2-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603473
N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604586
N-(naphthalen-1-ylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603263
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106615202
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
N-(pyrrolidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106603566
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604434
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604456
N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603290
N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106622610
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine (CID 106604438) is 1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine is CCc1ccccc1CN(CC1CC1)CC1CCCN1.
What is the InChIKey of 1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine?
The InChIKey is RRVJMLRENRIIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-16-6-3-4-7-17(16)13-20(12-15-9-10-15)14-18-8-5-11-19-18/h3-4,6-7,15,18-19H,2,5,8-14H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine?
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine has a molecular weight of 272.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine is sourced from PubChem (CID 106604438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).