2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine

C16H26N2 — CID 116934441

IUPAC2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
SMILESCC(C)(CCN)C(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H26N2/c1-16(2,9-10-17)15(18)14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15H,3-6,9-10,17-18H2,1-2H3
InChIKeyOHWMPAVQZDLDMN-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.94
Rot. Bonds4

About 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine

2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine (PubChem CID 116934441) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
PubChem CID116934441
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
SMILESCC(C)(CCN)C(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H26N2/c1-16(2,9-10-17)15(18)14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15H,3-6,9-10,17-18H2,1-2H3
InChIKeyOHWMPAVQZDLDMN-UHFFFAOYSA-N
XLogP2.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934538
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103
1-(3,4-dimethoxyphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934449
3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile
CID 116940358
2,2-dimethyl-1-phenylbutane-1,4-diamine
CID 116934434
N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722
N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116949253
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949561
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934464

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine?
The IUPAC name of 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine (CID 116934441) is 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine.
What is the SMILES notation for 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine?
The canonical SMILES for 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine is CC(C)(CCN)C(N)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine?
The InChIKey is OHWMPAVQZDLDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,9-10-17)15(18)14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15H,3-6,9-10,17-18H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine?
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine is sourced from PubChem (CID 116934441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).