3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide

C16H23N3O — CID 104768597

IUPAC3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC1CCOc2ccccc21)C1CC1
InChIInChI=1S/C16H23N3O/c17-16(18)7-9-19(13-5-6-13)11-12-8-10-20-15-4-2-1-3-14(12)15/h1-4,12-13H,5-11H2,(H3,17,18)
InChIKeySUQZMKXIGJNMMW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.34
Rot. Bonds6

About 3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide

3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide (PubChem CID 104768597) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide
PubChem CID104768597
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC1CCOc2ccccc21)C1CC1
InChIInChI=1S/C16H23N3O/c17-16(18)7-9-19(13-5-6-13)11-12-8-10-20-15-4-2-1-3-14(12)15/h1-4,12-13H,5-11H2,(H3,17,18)
InChIKeySUQZMKXIGJNMMW-UHFFFAOYSA-N
XLogP2.34
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine
CID 104771418
N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine
CID 104771493
2-[cyclopentyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]acetonitrile
CID 115883271
2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol
CID 104770923
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226019
1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol
CID 115880053
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine
CID 113451131
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide (CID 104768597) is 3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CC1CCOc2ccccc21)C1CC1.
What is the InChIKey of 3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide?
The InChIKey is SUQZMKXIGJNMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(18)7-9-19(13-5-6-13)11-12-8-10-20-15-4-2-1-3-14(12)15/h1-4,12-13H,5-11H2,(H3,17,18).
What are the key properties of 3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide?
3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide has a molecular weight of 273.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 104768597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).