1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine

C18H28N2O — CID 103748644

IUPAC1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine
SMILESCC1(CNC2CCN(Cc3ccccc3)C2)CCOCC1
InChIInChI=1S/C18H28N2O/c1-18(8-11-21-12-9-18)15-19-17-7-10-20(14-17)13-16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3
InChIKeyPNQGJCFJYNVLMW-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.67
Rot. Bonds5

About 1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine

1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 103748644) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine
PubChem CID103748644
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine
SMILESCC1(CNC2CCN(Cc3ccccc3)C2)CCOCC1
InChIInChI=1S/C18H28N2O/c1-18(8-11-21-12-9-18)15-19-17-7-10-20(14-17)13-16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3
InChIKeyPNQGJCFJYNVLMW-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
1-benzyl-N-[(1-methylcyclopentyl)methyl]piperidin-4-amine
CID 63821124
1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine
CID 104705115
1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
CID 103748632
1-benzyl-N-(1-methylcyclopropyl)pyrrolidin-3-amine
CID 162433803
3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol
CID 103904817
N-(1-benzylpyrrolidin-3-yl)morpholin-4-amine
CID 83009614
N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 50961692
(3R)-3-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]thiolan-3-ol
CID 97055622
1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine
CID 103735414
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine (CID 103748644) is 1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine is CC1(CNC2CCN(Cc3ccccc3)C2)CCOCC1.
What is the InChIKey of 1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is PNQGJCFJYNVLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(8-11-21-12-9-18)15-19-17-7-10-20(14-17)13-16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3.
What are the key properties of 1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 288.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 103748644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).