2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine

C18H30N2 — CID 63195842

IUPAC2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)(C)CN1CCCC1
InChIInChI=1S/C18H30N2/c1-4-12-19-17(16-10-6-5-7-11-16)18(2,3)15-20-13-8-9-14-20/h5-7,10-11,17,19H,4,8-9,12-15H2,1-3H3
InChIKeyIVQSDQVWHACTEM-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds7

About 2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine

2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 63195842) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID63195842
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)(C)CN1CCCC1
InChIInChI=1S/C18H30N2/c1-4-12-19-17(16-10-6-5-7-11-16)18(2,3)15-20-13-8-9-14-20/h5-7,10-11,17,19H,4,8-9,12-15H2,1-3H3
InChIKeyIVQSDQVWHACTEM-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 79051839
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059844
1-(4-methoxyphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051291
2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 43495094
3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
2-methyl-2-phenyl-N-propan-2-yl-3-pyrrolidin-1-ylpropan-1-amine
CID 62262976
N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 63469310
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
CID 115851112
1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine (CID 63195842) is 2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine is CCCNC(c1ccccc1)C(C)(C)CN1CCCC1.
What is the InChIKey of 2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is IVQSDQVWHACTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-12-19-17(16-10-6-5-7-11-16)18(2,3)15-20-13-8-9-14-20/h5-7,10-11,17,19H,4,8-9,12-15H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine?
2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 274.45 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 2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 63195842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).