N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine

C16H26N2 — CID 63772595

IUPACN',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine
SMILESCC(CN)CN(C)CC1CCCc2ccccc21
InChIInChI=1S/C16H26N2/c1-13(10-17)11-18(2)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,13,15H,5,7-8,10-12,17H2,1-2H3
InChIKeyZJINBRPGRNWNPO-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.63
Rot. Bonds5

About N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine

N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine (PubChem CID 63772595) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine
PubChem CID63772595
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine
SMILESCC(CN)CN(C)CC1CCCc2ccccc21
InChIInChI=1S/C16H26N2/c1-13(10-17)11-18(2)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,13,15H,5,7-8,10-12,17H2,1-2H3
InChIKeyZJINBRPGRNWNPO-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 55243639
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 63772976
N'-(2-aminoethyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55242274
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119583689
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119583688
N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 14822623
2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637491
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide
CID 63771080
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
CID 63771637

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine (CID 63772595) is N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine is CC(CN)CN(C)CC1CCCc2ccccc21.
What is the InChIKey of N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine?
The InChIKey is ZJINBRPGRNWNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(10-17)11-18(2)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,13,15H,5,7-8,10-12,17H2,1-2H3.
What are the key properties of N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine?
N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 63772595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).