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

C17H24N2 — CID 114477034

IUPACN-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine
SMILESC=C(C)CCn1cc(CNC(C)C)c2ccccc21
InChIInChI=1S/C17H24N2/c1-13(2)9-10-19-12-15(11-18-14(3)4)16-7-5-6-8-17(16)19/h5-8,12,14,18H,1,9-11H2,2-4H3
InChIKeyISQDCPSXAJJCHU-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.11
Rot. Bonds6

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

N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine (PubChem CID 114477034) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine
PubChem CID114477034
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine
SMILESC=C(C)CCn1cc(CNC(C)C)c2ccccc21
InChIInChI=1S/C17H24N2/c1-13(2)9-10-19-12-15(11-18-14(3)4)16-7-5-6-8-17(16)19/h5-8,12,14,18H,1,9-11H2,2-4H3
InChIKeyISQDCPSXAJJCHU-UHFFFAOYSA-N
XLogP4.11
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide
CID 66401524
[1-(3-methylbut-3-enyl)indol-3-yl]methanamine
CID 114477026
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
CID 66401921
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
CID 66402697
2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetic acid
CID 83776315
N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 66407991
N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66402503
N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66407995
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056
methyl 3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanoate
CID 66403285
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine (CID 114477034) is N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine is C=C(C)CCn1cc(CNC(C)C)c2ccccc21.
What is the InChIKey of N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine?
The InChIKey is ISQDCPSXAJJCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)9-10-19-12-15(11-18-14(3)4)16-7-5-6-8-17(16)19/h5-8,12,14,18H,1,9-11H2,2-4H3.
What are the key properties of N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine?
N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine has a molecular weight of 256.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114477034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).