N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine

C27H30N2 — CID 53324581

IUPACN,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine
SMILESCN(CCCN(C)Cc1cccc2ccccc12)Cc1cccc2ccccc12
InChIInChI=1S/C27H30N2/c1-28(20-24-14-7-12-22-10-3-5-16-26(22)24)18-9-19-29(2)21-25-15-8-13-23-11-4-6-17-27(23)25/h3-8,10-17H,9,18-21H2,1-2H3
InChIKeyRHZWYQZWQNYFTN-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.95
Rot. Bonds8

About N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine

N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine (PubChem CID 53324581) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine
PubChem CID53324581
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC NameN,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine
SMILESCN(CCCN(C)Cc1cccc2ccccc12)Cc1cccc2ccccc12
InChIInChI=1S/C27H30N2/c1-28(20-24-14-7-12-22-10-3-5-16-26(22)24)18-9-19-29(2)21-25-15-8-13-23-11-4-6-17-27(23)25/h3-8,10-17H,9,18-21H2,1-2H3
InChIKeyRHZWYQZWQNYFTN-UHFFFAOYSA-N
XLogP5.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine (CID 53324581) is N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine is CN(CCCN(C)Cc1cccc2ccccc12)Cc1cccc2ccccc12.
What is the InChIKey of N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine?
The InChIKey is RHZWYQZWQNYFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2/c1-28(20-24-14-7-12-22-10-3-5-16-26(22)24)18-9-19-29(2)21-25-15-8-13-23-11-4-6-17-27(23)25/h3-8,10-17H,9,18-21H2,1-2H3.
What are the key properties of N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine?
N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine has a molecular weight of 382.55 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 53324581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).