N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine

C15H24N2 — CID 112736749

IUPACN-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)C[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H24N2/c1-5-15(2,3)17(4)11-13-10-12-8-6-7-9-14(12)16-13/h6-9,13,16H,5,10-11H2,1-4H3/t13-/m0/s1
InChIKeyMPFBWGZKFVAZPF-ZDUSSCGKSA-N
MW232.37 g/mol
LogP3.14
Rot. Bonds4

About N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine

N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine (PubChem CID 112736749) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine
PubChem CID112736749
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)C[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H24N2/c1-5-15(2,3)17(4)11-13-10-12-8-6-7-9-14(12)16-13/h6-9,13,16H,5,10-11H2,1-4H3/t13-/m0/s1
InChIKeyMPFBWGZKFVAZPF-ZDUSSCGKSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methylpropan-2-amine
CID 80567683
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline
CID 80567470
N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine
CID 80567671
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
CID 80567527
N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
CID 80567476
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine
CID 80568085
2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole
CID 65042023
N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine
CID 80567596
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
2-nonyl-2,3-dihydro-1H-indole
CID 65041926

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine?
The IUPAC name of N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine (CID 112736749) is N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine is CCC(C)(C)N(C)C[C@@H]1Cc2ccccc2N1.
What is the InChIKey of N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine?
The InChIKey is MPFBWGZKFVAZPF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2/c1-5-15(2,3)17(4)11-13-10-12-8-6-7-9-14(12)16-13/h6-9,13,16H,5,10-11H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine?
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 112736749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).