N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine

C18H28N2 — CID 62522961

IUPACN-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(C2CCCc3ccccc32)C1
InChIInChI=1S/C18H28N2/c1-14(2)19-12-15-10-11-20(13-15)18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,14-15,18-19H,5,7,9-13H2,1-2H3
InChIKeyAAWIUJYWYVVXTF-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.38
Rot. Bonds4

About N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 62522961) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID62522961
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(C2CCCc3ccccc32)C1
InChIInChI=1S/C18H28N2/c1-14(2)19-12-15-10-11-20(13-15)18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,14-15,18-19H,5,7,9-13H2,1-2H3
InChIKeyAAWIUJYWYVVXTF-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 62522961) is N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(C2CCCc3ccccc32)C1.
What is the InChIKey of N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is AAWIUJYWYVVXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)19-12-15-10-11-20(13-15)18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,14-15,18-19H,5,7,9-13H2,1-2H3.
What are the key properties of N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 272.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62522961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).