N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine

C10H12ClNO — CID 103701651

IUPACN-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1ccc(Cl)o1
InChIInChI=1S/C10H12ClNO/c1-2-3-4-7-12-8-9-5-6-10(11)13-9/h1,5-6,12H,3-4,7-8H2
InChIKeyCHVRZNNZMZSPEM-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.44
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine

N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine (PubChem CID 103701651) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
PubChem CID103701651
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1ccc(Cl)o1
InChIInChI=1S/C10H12ClNO/c1-2-3-4-7-12-8-9-5-6-10(11)13-9/h1,5-6,12H,3-4,7-8H2
InChIKeyCHVRZNNZMZSPEM-UHFFFAOYSA-N
XLogP2.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.44
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'}

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
CID 106220264
5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
CID 107267883
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine
CID 103701717
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine
CID 63655471
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
CID 60658982
N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
CID 115584528
methyl 5-[(hex-5-ynylamino)methyl]furan-2-carboxylate
CID 103923630
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
CID 115595769
2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 61168934

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine (CID 103701651) is N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine is C#CCCCNCc1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine?
The InChIKey is CHVRZNNZMZSPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-2-3-4-7-12-8-9-5-6-10(11)13-9/h1,5-6,12H,3-4,7-8H2.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine?
N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine has a molecular weight of 197.66 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine is sourced from PubChem (CID 103701651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).