N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine

C18H26N2 — CID 79969166

IUPACN-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
SMILESc1cc(C2CC2)ccc1CNCC1CCN(C2CC2)C1
InChIInChI=1S/C18H26N2/c1-3-16(17-5-6-17)4-2-14(1)11-19-12-15-9-10-20(13-15)18-7-8-18/h1-4,15,17-19H,5-13H2
InChIKeyUIHGNDSTMUXBET-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.14
Rot. Bonds6

About N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine

N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine (PubChem CID 79969166) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
PubChem CID79969166
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
SMILESc1cc(C2CC2)ccc1CNCC1CCN(C2CC2)C1
InChIInChI=1S/C18H26N2/c1-3-16(17-5-6-17)4-2-14(1)11-19-12-15-9-10-20(13-15)18-7-8-18/h1-4,15,17-19H,5-13H2
InChIKeyUIHGNDSTMUXBET-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine
CID 78871247
1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 54920855
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 119034515
4-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103240565
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60762346
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 62127942
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54920898
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine
CID 54881039
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 124690614
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine (CID 79969166) is N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine is c1cc(C2CC2)ccc1CNCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine?
The InChIKey is UIHGNDSTMUXBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-16(17-5-6-17)4-2-14(1)11-19-12-15-9-10-20(13-15)18-7-8-18/h1-4,15,17-19H,5-13H2.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine?
N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine has a molecular weight of 270.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 79969166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).