N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine

C18H30N2 — CID 63772976

IUPACN'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)CC1CCCc2ccccc21
InChIInChI=1S/C18H30N2/c1-15(2)13-19-11-12-20(3)14-17-9-6-8-16-7-4-5-10-18(16)17/h4-5,7,10,15,17,19H,6,8-9,11-14H2,1-3H3
InChIKeyRFHYXBSEPXGNFO-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.28
Rot. Bonds7

About N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine

N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine (PubChem CID 63772976) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
PubChem CID63772976
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)CC1CCCc2ccccc21
InChIInChI=1S/C18H30N2/c1-15(2)13-19-11-12-20(3)14-17-9-6-8-16-7-4-5-10-18(16)17/h4-5,7,10,15,17,19H,6,8-9,11-14H2,1-3H3
InChIKeyRFHYXBSEPXGNFO-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
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-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine
CID 63772595
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
2-methyl-1-(2-methylpropylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 66037048
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol
CID 129363150
1-N,1-N-dimethyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butane-1,3-diamine
CID 63771246
N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine
CID 62455421
N-methyl-2-piperidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 66273419
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
CID 63771637
2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 55243639
N'-(2-aminoethyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55242274
2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637491
methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate
CID 63770956

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine (CID 63772976) is N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine is CC(C)CNCCN(C)CC1CCCc2ccccc21.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine?
The InChIKey is RFHYXBSEPXGNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)13-19-11-12-20(3)14-17-9-6-8-16-7-4-5-10-18(16)17/h4-5,7,10,15,17,19H,6,8-9,11-14H2,1-3H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine?
N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 63772976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).