1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine

C18H29N3 — CID 60797130

IUPAC1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2(CN)CCc3ccccc3C2)CC1
InChIInChI=1S/C18H29N3/c1-20(2)17-8-11-21(12-9-17)18(14-19)10-7-15-5-3-4-6-16(15)13-18/h3-6,17H,7-14,19H2,1-2H3
InChIKeyCDRGKBDQLNLXKS-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.90
Rot. Bonds3

About 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine

1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 60797130) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID60797130
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2(CN)CCc3ccccc3C2)CC1
InChIInChI=1S/C18H29N3/c1-20(2)17-8-11-21(12-9-17)18(14-19)10-7-15-5-3-4-6-16(15)13-18/h3-6,17H,7-14,19H2,1-2H3
InChIKeyCDRGKBDQLNLXKS-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine (CID 60797130) is 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C2(CN)CCc3ccccc3C2)CC1.
What is the InChIKey of 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is CDRGKBDQLNLXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20(2)17-8-11-21(12-9-17)18(14-19)10-7-15-5-3-4-6-16(15)13-18/h3-6,17H,7-14,19H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine?
1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 287.45 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 60797130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).