N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine

C16H25N — CID 115629541

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25N/c1-4-10-16(2,3)17-12-13-8-9-14-6-5-7-15(14)11-13/h8-9,11,17H,4-7,10,12H2,1-3H3
InChIKeySEXUGICDNRDWMR-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.84
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine (PubChem CID 115629541) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine
PubChem CID115629541
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25N/c1-4-10-16(2,3)17-12-13-8-9-14-6-5-7-15(14)11-13/h8-9,11,17H,4-7,10,12H2,1-3H3
InChIKeySEXUGICDNRDWMR-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
CID 115129260
1-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylbutan-2-amine
CID 65024559
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N-(1,3-benzodioxol-5-ylmethyl)-2-methylpentan-2-amine
CID 113471614
N-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentan-2-amine
CID 115621691
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103
ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene
CID 144532564
2-methyl-N-[(4-methylsulfinylphenyl)methyl]pentan-2-amine
CID 71922652
2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
CID 113234424
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
CID 110774865
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine
CID 60997427

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine (CID 115629541) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine is CCCC(C)(C)NCc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine?
The InChIKey is SEXUGICDNRDWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-10-16(2,3)17-12-13-8-9-14-6-5-7-15(14)11-13/h8-9,11,17H,4-7,10,12H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine is sourced from PubChem (CID 115629541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).