(3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine

C19H26N2 — CID 44592195

IUPAC(3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
SMILESCCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1
InChIInChI=1S/C19H26N2/c1-2-3-12-21(19-10-11-20-14-19)15-16-8-9-17-6-4-5-7-18(17)13-16/h4-9,13,19-20H,2-3,10-12,14-15H2,1H3/t19-/m0/s1
InChIKeyUAUSBXOENIHVFX-IBGZPJMESA-N
MW282.43 g/mol
LogP3.80
Rot. Bonds6

About (3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine

(3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 44592195) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
PubChem CID44592195
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
SMILESCCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1
InChIInChI=1S/C19H26N2/c1-2-3-12-21(19-10-11-20-14-19)15-16-8-9-17-6-4-5-7-18(17)13-16/h4-9,13,19-20H,2-3,10-12,14-15H2,1H3/t19-/m0/s1
InChIKeyUAUSBXOENIHVFX-IBGZPJMESA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine (CID 44592195) is (3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine is CCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is UAUSBXOENIHVFX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N2/c1-2-3-12-21(19-10-11-20-14-19)15-16-8-9-17-6-4-5-7-18(17)13-16/h4-9,13,19-20H,2-3,10-12,14-15H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine?
(3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 282.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 44592195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).