3-(1H-indol-6-yl)propanimidamide

C11H13N3 — CID 173254114

IUPAC3-(1H-indol-6-yl)propanimidamide
SMILES[H]/N=C(\N)CCc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H13N3/c12-11(13)4-2-8-1-3-9-5-6-14-10(9)7-8/h1,3,5-7,14H,2,4H2,(H3,12,13)
InChIKeyVJSHNTGJEJTLKG-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.04
Rot. Bonds3

About 3-(1H-indol-6-yl)propanimidamide

3-(1H-indol-6-yl)propanimidamide (PubChem CID 173254114) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)propanimidamide.

Molecular Properties

Compound Name3-(1H-indol-6-yl)propanimidamide
PubChem CID173254114
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name3-(1H-indol-6-yl)propanimidamide
SMILES[H]/N=C(\N)CCc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H13N3/c12-11(13)4-2-8-1-3-9-5-6-14-10(9)7-8/h1,3,5-7,14H,2,4H2,(H3,12,13)
InChIKeyVJSHNTGJEJTLKG-UHFFFAOYSA-N
XLogP2.04
TPSA65.66 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-6-yl)propanoic acid
CID 23178857
6-[2-(3,4-difluorophenyl)ethyl]-1H-indole
CID 175599015
6-(bromomethyl)-1H-indole
CID 22062878
3-(4-methylphenyl)propanimidamide;hydrochloride
CID 69159205
3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide
CID 67069769
N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine
CID 144853621
3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 71840750
N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide
CID 71840774
2-(7-chloro-1H-indol-5-yl)ethanimidamide
CID 83883547
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911465
3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840754
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)propanimidamide?
The IUPAC name of 3-(1H-indol-6-yl)propanimidamide (CID 173254114) is 3-(1H-indol-6-yl)propanimidamide.
What is the SMILES notation for 3-(1H-indol-6-yl)propanimidamide?
The canonical SMILES for 3-(1H-indol-6-yl)propanimidamide is [H]/N=C(\N)CCc1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(1H-indol-6-yl)propanimidamide?
The InChIKey is VJSHNTGJEJTLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-11(13)4-2-8-1-3-9-5-6-14-10(9)7-8/h1,3,5-7,14H,2,4H2,(H3,12,13).
What are the key properties of 3-(1H-indol-6-yl)propanimidamide?
3-(1H-indol-6-yl)propanimidamide has a molecular weight of 187.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)propanimidamide is sourced from PubChem (CID 173254114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).