N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine

C9H16N2O — CID 62633441

IUPACN'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
SMILESCCC(NCCN)c1ccco1
InChIInChI=1S/C9H16N2O/c1-2-8(11-6-5-10)9-4-3-7-12-9/h3-4,7-8,11H,2,5-6,10H2,1H3
InChIKeyUPTYRIPBXNMSSO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.28
Rot. Bonds5

About N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine

N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine (PubChem CID 62633441) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
PubChem CID62633441
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
SMILESCCC(NCCN)c1ccco1
InChIInChI=1S/C9H16N2O/c1-2-8(11-6-5-10)9-4-3-7-12-9/h3-4,7-8,11H,2,5-6,10H2,1H3
InChIKeyUPTYRIPBXNMSSO-UHFFFAOYSA-N
XLogP1.28
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(furan-2-yl)propyl]butane-1,4-diamine
CID 62633443
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 55097343
2-[1-(furan-2-yl)propylamino]ethylurea
CID 83109971
N-(2-cyclopentylethyl)-1-(furan-2-yl)propan-1-amine
CID 62633625
2-[2-[1-(furan-2-yl)propylamino]ethoxy]acetamide
CID 106235398
N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine
CID 106007637
N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide
CID 55098017
N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 106169372
3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide
CID 113409686
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 64548306

Frequently Asked Questions

What is the IUPAC name of N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine (CID 62633441) is N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine is CCC(NCCN)c1ccco1.
What is the InChIKey of N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine?
The InChIKey is UPTYRIPBXNMSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-8(11-6-5-10)9-4-3-7-12-9/h3-4,7-8,11H,2,5-6,10H2,1H3.
What are the key properties of N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine?
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 62633441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).