N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine

C16H26N2 — CID 115202649

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine
SMILESCC(CCN)CN(C)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H26N2/c1-13(8-9-17)11-18(2)12-14-6-7-15-4-3-5-16(15)10-14/h6-7,10,13H,3-5,8-9,11-12,17H2,1-2H3
InChIKeyKAIGLUCYWPSJSL-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.59
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine

N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine (PubChem CID 115202649) 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-ylmethyl)-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine
PubChem CID115202649
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine
SMILESCC(CCN)CN(C)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H26N2/c1-13(8-9-17)11-18(2)12-14-6-7-15-4-3-5-16(15)10-14/h6-7,10,13H,3-5,8-9,11-12,17H2,1-2H3
InChIKeyKAIGLUCYWPSJSL-UHFFFAOYSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202644
N-[(4-chlorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544192
N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202640
2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol
CID 115120672
N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158
N,2-dimethyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butane-1,4-diamine
CID 115202689
[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]methanethiol
CID 115228031
5-[[(4-amino-2-methylbutyl)-methylamino]methyl]-3H-1,3-benzoxazol-2-one
CID 115202696
2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 115202278
N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine
CID 115226970
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202638

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine (CID 115202649) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine is CC(CCN)CN(C)Cc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine?
The InChIKey is KAIGLUCYWPSJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(8-9-17)11-18(2)12-14-6-7-15-4-3-5-16(15)10-14/h6-7,10,13H,3-5,8-9,11-12,17H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.59, 6 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-ylmethyl)-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115202649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).