N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine

C16H21NO — CID 103786894

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine
SMILESC#CCCCNC(CC)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21NO/c1-3-5-6-10-17-15(4-2)13-7-8-16-14(12-13)9-11-18-16/h1,7-8,12,15,17H,4-6,9-11H2,2H3
InChIKeyPGFGDVHJEIXHSG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.08
Rot. Bonds6

About N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine

N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine (PubChem CID 103786894) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine
PubChem CID103786894
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine
SMILESC#CCCCNC(CC)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21NO/c1-3-5-6-10-17-15(4-2)13-7-8-16-14(12-13)9-11-18-16/h1,7-8,12,15,17H,4-6,9-11H2,2H3
InChIKeyPGFGDVHJEIXHSG-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-propoxypropyl)propan-1-amine
CID 82941487
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43768025
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-2-amine
CID 115725246
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43770815
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716082
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 115708619
methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate
CID 43774755
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
N-(2-cyclohexylethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 63450791
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine (CID 103786894) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine is C#CCCCNC(CC)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine?
The InChIKey is PGFGDVHJEIXHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-5-6-10-17-15(4-2)13-7-8-16-14(12-13)9-11-18-16/h1,7-8,12,15,17H,4-6,9-11H2,2H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine is sourced from PubChem (CID 103786894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).