N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine

C16H26N2 — CID 115204299

IUPACN-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCN(CC(C)(C)CCN)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H26N2/c1-16(2,9-10-17)12-18(3)15-8-7-13-5-4-6-14(13)11-15/h7-8,11H,4-6,9-10,12,17H2,1-3H3
InChIKeyFAHFFSXFRKRASI-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.99
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine

N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine (PubChem CID 115204299) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
PubChem CID115204299
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCN(CC(C)(C)CCN)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H26N2/c1-16(2,9-10-17)12-18(3)15-8-7-13-5-4-6-14(13)11-15/h7-8,11H,4-6,9-10,12,17H2,1-3H3
InChIKeyFAHFFSXFRKRASI-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204315
5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
CID 115204316
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103
2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid
CID 115136462
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115258329
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115212957
N-(methoxymethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115258314
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propane-1-thiol
CID 115224698
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115249300
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile
CID 115230731
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115245672

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine (CID 115204299) is N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine is CN(CC(C)(C)CCN)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine?
The InChIKey is FAHFFSXFRKRASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,9-10-17)12-18(3)15-8-7-13-5-4-6-14(13)11-15/h7-8,11H,4-6,9-10,12,17H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine?
N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 115204299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).