N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine

C16H22N2 — CID 43271175

IUPACN'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine
SMILESCCCN(C)CC(N)c1cccc2ccccc12
InChIInChI=1S/C16H22N2/c1-3-11-18(2)12-16(17)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16H,3,11-12,17H2,1-2H3
InChIKeyWAOAVVKIWQWROU-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.18
Rot. Bonds5

About N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine

N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine (PubChem CID 43271175) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine
PubChem CID43271175
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine
SMILESCCCN(C)CC(N)c1cccc2ccccc12
InChIInChI=1S/C16H22N2/c1-3-11-18(2)12-16(17)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16H,3,11-12,17H2,1-2H3
InChIKeyWAOAVVKIWQWROU-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine (CID 43271175) is N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine is CCCN(C)CC(N)c1cccc2ccccc12.
What is the InChIKey of N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine?
The InChIKey is WAOAVVKIWQWROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-11-18(2)12-16(17)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16H,3,11-12,17H2,1-2H3.
What are the key properties of N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine?
N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine has a molecular weight of 242.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 43271175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).