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

C19H30N2 — CID 106603015

IUPAC4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(N(CC2CCCN2)C(C)C)c2ccccc21
InChIInChI=1S/C19H30N2/c1-14(2)21(13-16-7-6-12-20-16)19-11-10-15(3)17-8-4-5-9-18(17)19/h4-5,8-9,14-16,19-20H,6-7,10-13H2,1-3H3
InChIKeyZIMZOGQUGBTFDN-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.09
Rot. Bonds4

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

4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 106603015) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID106603015
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(N(CC2CCCN2)C(C)C)c2ccccc21
InChIInChI=1S/C19H30N2/c1-14(2)21(13-16-7-6-12-20-16)19-11-10-15(3)17-8-4-5-9-18(17)19/h4-5,8-9,14-16,19-20H,6-7,10-13H2,1-3H3
InChIKeyZIMZOGQUGBTFDN-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 106603015) is 4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CCC(N(CC2CCCN2)C(C)C)c2ccccc21.
What is the InChIKey of 4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZIMZOGQUGBTFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)21(13-16-7-6-12-20-16)19-11-10-15(3)17-8-4-5-9-18(17)19/h4-5,8-9,14-16,19-20H,6-7,10-13H2,1-3H3.
What are the key properties of 4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 106603015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).