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

C18H29N3 — CID 115419012

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(N2CCCC2CN(C)C)C(N)c2ccccc21
InChIInChI=1S/C18H29N3/c1-13-11-17(18(19)16-9-5-4-8-15(13)16)21-10-6-7-14(21)12-20(2)3/h4-5,8-9,13-14,17-18H,6-7,10-12,19H2,1-3H3
InChIKeyQWCFOCHDFIIOFW-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.59
Rot. Bonds3

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

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115419012) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115419012
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(N2CCCC2CN(C)C)C(N)c2ccccc21
InChIInChI=1S/C18H29N3/c1-13-11-17(18(19)16-9-5-4-8-15(13)16)21-10-6-7-14(21)12-20(2)3/h4-5,8-9,13-14,17-18H,6-7,10-12,19H2,1-3H3
InChIKeyQWCFOCHDFIIOFW-UHFFFAOYSA-N
XLogP2.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115419012) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CC(N2CCCC2CN(C)C)C(N)c2ccccc21.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QWCFOCHDFIIOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13-11-17(18(19)16-9-5-4-8-15(13)16)21-10-6-7-14(21)12-20(2)3/h4-5,8-9,13-14,17-18H,6-7,10-12,19H2,1-3H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 287.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115419012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).