1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine

C13H24N2O2 — CID 81102507

IUPAC1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine
SMILESCOCCCC(N)CNC(C)Cc1ccco1
InChIInChI=1S/C13H24N2O2/c1-11(9-13-6-4-8-17-13)15-10-12(14)5-3-7-16-2/h4,6,8,11-12,15H,3,5,7,9-10,14H2,1-2H3
InChIKeyPKUGFWGPAFOMPE-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds9

About 1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine

1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine (PubChem CID 81102507) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine
PubChem CID81102507
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine
SMILESCOCCCC(N)CNC(C)Cc1ccco1
InChIInChI=1S/C13H24N2O2/c1-11(9-13-6-4-8-17-13)15-10-12(14)5-3-7-16-2/h4,6,8,11-12,15H,3,5,7,9-10,14H2,1-2H3
InChIKeyPKUGFWGPAFOMPE-UHFFFAOYSA-N
XLogP1.55
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[1-(furan-2-yl)propan-2-yl]-4-methylpentane-1,2-diamine
CID 61470414
N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
CID 64568053
N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine
CID 79547595
5-ethoxy-1-(furan-2-yl)pentan-2-amine
CID 105177455
2-amino-N-[4-(furan-2-yl)butan-2-yl]-5-methoxypentanamide
CID 81088081
N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine
CID 63099763
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
1-(furan-2-yl)-4-methoxybutan-1-amine
CID 62716134
4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103178791
N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
CID 61470742
2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine
CID 107473290
2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline
CID 115413933

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine?
The IUPAC name of 1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine (CID 81102507) is 1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine?
The canonical SMILES for 1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine is COCCCC(N)CNC(C)Cc1ccco1.
What is the InChIKey of 1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine?
The InChIKey is PKUGFWGPAFOMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(9-13-6-4-8-17-13)15-10-12(14)5-3-7-16-2/h4,6,8,11-12,15H,3,5,7,9-10,14H2,1-2H3.
What are the key properties of 1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine?
1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine is sourced from PubChem (CID 81102507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).