(1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine

C14H18N2 — CID 171226482

IUPAC(1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine
SMILESC=CCC[C@H](N)c1cn(C)c2ccccc12
InChIInChI=1S/C14H18N2/c1-3-4-8-13(15)12-10-16(2)14-9-6-5-7-11(12)14/h3,5-7,9-10,13H,1,4,8,15H2,2H3/t13-/m0/s1
InChIKeyXESNMDGDADVRNO-ZDUSSCGKSA-N
MW214.31 g/mol
LogP3.14
Rot. Bonds4

About (1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine

(1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine (PubChem CID 171226482) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine
PubChem CID171226482
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine
SMILESC=CCC[C@H](N)c1cn(C)c2ccccc12
InChIInChI=1S/C14H18N2/c1-3-4-8-13(15)12-10-16(2)14-9-6-5-7-11(12)14/h3,5-7,9-10,13H,1,4,8,15H2,2H3/t13-/m0/s1
InChIKeyXESNMDGDADVRNO-ZDUSSCGKSA-N
XLogP3.14
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.14
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

(1R)-1-(1-methylindol-3-yl)but-3-en-1-amine;hydrochloride
CID 171206886
1-[3-[(1S)-1-aminopent-4-enyl]indol-1-yl]ethanone;hydrochloride
CID 171233808
N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
CID 116932472
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
CID 171212052
(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
1-methyl-3-propan-2-ylindole
CID 10942942
1-(2-methoxyphenyl)pent-4-en-1-amine
CID 15884723
4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
CID 171208914
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
1-(2-iodophenyl)pent-4-en-1-amine
CID 104987635
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine?
The IUPAC name of (1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine (CID 171226482) is (1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine.
What is the SMILES notation for (1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine?
The canonical SMILES for (1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine is C=CCC[C@H](N)c1cn(C)c2ccccc12.
What is the InChIKey of (1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine?
The InChIKey is XESNMDGDADVRNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-4-8-13(15)12-10-16(2)14-9-6-5-7-11(12)14/h3,5-7,9-10,13H,1,4,8,15H2,2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine?
(1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine has a molecular weight of 214.31 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 (1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine is sourced from PubChem (CID 171226482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).