N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine

C19H30N2 — CID 60857323

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)CC(NCC1CCN(C2CC2)C1)c1ccccc1
InChIInChI=1S/C19H30N2/c1-15(2)12-19(17-6-4-3-5-7-17)20-13-16-10-11-21(14-16)18-8-9-18/h3-7,15-16,18-20H,8-14H2,1-2H3
InChIKeyDBPKWUUGGDONMT-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.85
Rot. Bonds7

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine (PubChem CID 60857323) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine
PubChem CID60857323
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)CC(NCC1CCN(C2CC2)C1)c1ccccc1
InChIInChI=1S/C19H30N2/c1-15(2)12-19(17-6-4-3-5-7-17)20-13-16-10-11-21(14-16)18-8-9-18/h3-7,15-16,18-20H,8-14H2,1-2H3
InChIKeyDBPKWUUGGDONMT-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60857322
2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60856155
1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine
CID 60857454
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 71916218
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methylhexan-2-amine
CID 54927106
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
3-[(1-methylpyrrolidin-3-yl)methylamino]-3-phenylpropanenitrile
CID 55117722
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 61180690
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine
CID 63453789

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine (CID 60857323) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine is CC(C)CC(NCC1CCN(C2CC2)C1)c1ccccc1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine?
The InChIKey is DBPKWUUGGDONMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)12-19(17-6-4-3-5-7-17)20-13-16-10-11-21(14-16)18-8-9-18/h3-7,15-16,18-20H,8-14H2,1-2H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 60857323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).