N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine

C19H28N2 — CID 114476978

IUPACN-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine
SMILESC=C(C)CCn1c(C)c(C)c2cc(CNCCC)ccc21
InChIInChI=1S/C19H28N2/c1-6-10-20-13-17-7-8-19-18(12-17)15(4)16(5)21(19)11-9-14(2)3/h7-8,12,20H,2,6,9-11,13H2,1,3-5H3
InChIKeySHDULXZRJNKJOB-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.72
Rot. Bonds7

About N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine

N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine (PubChem CID 114476978) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine
PubChem CID114476978
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine
SMILESC=C(C)CCn1c(C)c(C)c2cc(CNCCC)ccc21
InChIInChI=1S/C19H28N2/c1-6-10-20-13-17-7-8-19-18(12-17)15(4)16(5)21(19)11-9-14(2)3/h7-8,12,20H,2,6,9-11,13H2,1,3-5H3
InChIKeySHDULXZRJNKJOB-UHFFFAOYSA-N
XLogP4.72
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine
CID 79186198
N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine
CID 79186311
1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine
CID 65177840
N-[[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methyl]propan-1-amine
CID 114471398
1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine
CID 115943540
3-methyl-6-(propylaminomethyl)-1,3-benzothiazol-2-one
CID 166178372
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 114470830
[1-(2-ethylsulfonylethyl)-2,3-dimethylindol-5-yl]methanamine
CID 106731902
3-(5-fluoro-2,3-dimethylindol-1-yl)propanenitrile
CID 12793100
N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide
CID 102915998
N-[[4-(chloromethyl)phenyl]methyl]propan-1-amine
CID 107232944

Frequently Asked Questions

What is the IUPAC name of N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine (CID 114476978) is N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine is C=C(C)CCn1c(C)c(C)c2cc(CNCCC)ccc21.
What is the InChIKey of N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine?
The InChIKey is SHDULXZRJNKJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-6-10-20-13-17-7-8-19-18(12-17)15(4)16(5)21(19)11-9-14(2)3/h7-8,12,20H,2,6,9-11,13H2,1,3-5H3.
What are the key properties of N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine?
N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114476978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).