N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine

C14H22N2 — CID 115195816

IUPACN-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
SMILESCNCCNCc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H22N2/c1-15-8-9-16-11-12-6-7-13-4-2-3-5-14(13)10-12/h6-7,10,15-16H,2-5,8-9,11H2,1H3
InChIKeyCDNAVUKOAYJZGJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.87
Rot. Bonds5

About N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine

N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 115195816) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
PubChem CID115195816
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
SMILESCNCCNCc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H22N2/c1-15-8-9-16-11-12-6-7-13-4-2-3-5-14(13)10-12/h6-7,10,15-16H,2-5,8-9,11H2,1H3
InChIKeyCDNAVUKOAYJZGJ-UHFFFAOYSA-N
XLogP1.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N'-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methyl]-N-methylethane-1,2-diamine
CID 115195897
3-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1-thiol
CID 115224838
(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine
CID 115660114
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine
CID 106844899
5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine
CID 107319955
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
CID 82943032
N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196158
N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115629535
2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 65024077
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694435
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115660085

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine (CID 115195816) is N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine is CNCCNCc1ccc2c(c1)CCCC2.
What is the InChIKey of N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is CDNAVUKOAYJZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-15-8-9-16-11-12-6-7-13-4-2-3-5-14(13)10-12/h6-7,10,15-16H,2-5,8-9,11H2,1H3.
What are the key properties of N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine?
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 115195816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).