N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine

C16H20N2 — CID 115208869

IUPACN-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
SMILESc1ccc2cc(CNCC3CCNC3)ccc2c1
InChIInChI=1S/C16H20N2/c1-2-4-16-9-13(5-6-15(16)3-1)10-18-12-14-7-8-17-11-14/h1-6,9,14,17-18H,7-8,10-12H2
InChIKeyZXYYJERSRKXTQF-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.54
Rot. Bonds4

About N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine

N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine (PubChem CID 115208869) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
PubChem CID115208869
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
SMILESc1ccc2cc(CNCC3CCNC3)ccc2c1
InChIInChI=1S/C16H20N2/c1-2-4-16-9-13(5-6-15(16)3-1)10-18-12-14-7-8-17-11-14/h1-6,9,14,17-18H,7-8,10-12H2
InChIKeyZXYYJERSRKXTQF-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
N-[(6-methylnaphthalen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 115209974
N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62351212
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208775
N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135164752
N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 155958402
4-(2-naphthalen-2-ylethyl)piperidine
CID 43146715
N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208851
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208960

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine (CID 115208869) is N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine is c1ccc2cc(CNCC3CCNC3)ccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The InChIKey is ZXYYJERSRKXTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-4-16-9-13(5-6-15(16)3-1)10-18-12-14-7-8-17-11-14/h1-6,9,14,17-18H,7-8,10-12H2.
What are the key properties of N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine has a molecular weight of 240.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 115208869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).