2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine

C18H26N2 — CID 84746535

IUPAC2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine
SMILESCCN(CC)C(C)(CN)Cc1cccc2ccccc12
InChIInChI=1S/C18H26N2/c1-4-20(5-2)18(3,14-19)13-16-11-8-10-15-9-6-7-12-17(15)16/h6-12H,4-5,13-14,19H2,1-3H3
InChIKeyDXFOBAMNACNOFL-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.44
Rot. Bonds6

About 2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine

2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine (PubChem CID 84746535) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine
PubChem CID84746535
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine
SMILESCCN(CC)C(C)(CN)Cc1cccc2ccccc12
InChIInChI=1S/C18H26N2/c1-4-20(5-2)18(3,14-19)13-16-11-8-10-15-9-6-7-12-17(15)16/h6-12H,4-5,13-14,19H2,1-3H3
InChIKeyDXFOBAMNACNOFL-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine
CID 102640302
2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752095
2-methylpropan-2-amine;naphthalen-1-ylmethanamine
CID 142317452
1-(2-fluoro-2-methylpropyl)naphthalene
CID 118859745
2,2-dimethyl-3-naphthalen-1-ylpropanamide
CID 90911277
1-(2-methyl-2-phenylpropyl)naphthalene
CID 86035126
2-fluoro-3-naphthalen-1-yl-2-phenylpropan-1-amine
CID 115918085
ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate
CID 11173902
azane;1-ethylnaphthalene
CID 19048185
methanamine;1-propylnaphthalene
CID 174438724
2-amino-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-1-ol
CID 25214823

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine (CID 84746535) is 2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine is CCN(CC)C(C)(CN)Cc1cccc2ccccc12.
What is the InChIKey of 2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine?
The InChIKey is DXFOBAMNACNOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-20(5-2)18(3,14-19)13-16-11-8-10-15-9-6-7-12-17(15)16/h6-12H,4-5,13-14,19H2,1-3H3.
What are the key properties of 2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine?
2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine has a molecular weight of 270.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine is sourced from PubChem (CID 84746535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).