N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine

C16H26N2 — CID 114231049

IUPACN'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)C1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H26N2/c1-4-18(12-11-17)15-9-10-16(2,3)14-8-6-5-7-13(14)15/h5-8,15H,4,9-12,17H2,1-3H3
InChIKeyHONMJMAAIZRDDF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.08
Rot. Bonds4

About N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine

N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine (PubChem CID 114231049) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine
PubChem CID114231049
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)C1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H26N2/c1-4-18(12-11-17)15-9-10-16(2,3)14-8-6-5-7-13(14)15/h5-8,15H,4,9-12,17H2,1-3H3
InChIKeyHONMJMAAIZRDDF-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tametraline Hydrochloride
CID 104180
1-Naphthylamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, hydrochloride, (Z)-
CID 3034724
Tametraline
CID 163308
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708
1-(2-(2-Ethylphenyl)-1-phenylethyl)piperazine
CID 44414709
N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46475
(S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592195
(1-Allyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine
CID 10398940
N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 13472341
N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
CID 19107093
N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine
CID 19801134
(1R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 44298872

Frequently Asked Questions

What is the IUPAC name of N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine (CID 114231049) is N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine is CCN(CCN)C1CCC(C)(C)c2ccccc21.
What is the InChIKey of N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine?
The InChIKey is HONMJMAAIZRDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18(12-11-17)15-9-10-16(2,3)14-8-6-5-7-13(14)15/h5-8,15H,4,9-12,17H2,1-3H3.
What are the key properties of N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine?
N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 114231049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).