1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine

C33H27N — CID 3765538

IUPAC1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine
SMILESc1ccc2c(CN(Cc3cccc4ccccc34)Cc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C33H27N/c1-4-19-31-25(10-1)13-7-16-28(31)22-34(23-29-17-8-14-26-11-2-5-20-32(26)29)24-30-18-9-15-27-12-3-6-21-33(27)30/h1-21H,22-24H2
InChIKeyIGGOHVHWACDBJP-UHFFFAOYSA-N
MW437.59 g/mol
LogP8.35
Rot. Bonds6

About 1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine

1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine (PubChem CID 3765538) has the molecular formula C33H27N and a molecular weight of 437.59 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine
PubChem CID3765538
Molecular FormulaC33H27N
Molecular Weight437.59 g/mol
Exact Mass437.21
IUPAC Name1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine
SMILESc1ccc2c(CN(Cc3cccc4ccccc34)Cc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C33H27N/c1-4-19-31-25(10-1)13-7-16-28(31)22-34(23-29-17-8-14-26-11-2-5-20-32(26)29)24-30-18-9-15-27-12-3-6-21-33(27)30/h1-21H,22-24H2
InChIKeyIGGOHVHWACDBJP-UHFFFAOYSA-N
XLogP8.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine?
The IUPAC name of 1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine (CID 3765538) is 1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine.
What is the SMILES notation for 1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine?
The canonical SMILES for 1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine is c1ccc2c(CN(Cc3cccc4ccccc34)Cc3cccc4ccccc34)cccc2c1.
What is the InChIKey of 1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine?
The InChIKey is IGGOHVHWACDBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N/c1-4-19-31-25(10-1)13-7-16-28(31)22-34(23-29-17-8-14-26-11-2-5-20-32(26)29)24-30-18-9-15-27-12-3-6-21-33(27)30/h1-21H,22-24H2.
What are the key properties of 1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine?
1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine has a molecular weight of 437.59 g/mol, XLogP of 8.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N,N-bis(naphthalen-1-ylmethyl)methanamine is sourced from PubChem (CID 3765538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).