1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine

C15H28N2O — CID 4825725

IUPAC1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1ccc(C)o1
InChIInChI=1S/C15H28N2O/c1-5-17(6-2)11-7-8-13(3)16-12-15-10-9-14(4)18-15/h9-10,13,16H,5-8,11-12H2,1-4H3
InChIKeyYONAELDLEWCCKF-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.19
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine (PubChem CID 4825725) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
PubChem CID4825725
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1ccc(C)o1
InChIInChI=1S/C15H28N2O/c1-5-17(6-2)11-7-8-13(3)16-12-15-10-9-14(4)18-15/h9-10,13,16H,5-8,11-12H2,1-4H3
InChIKeyYONAELDLEWCCKF-UHFFFAOYSA-N
XLogP3.19
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[[5-(diethylamino)pentan-2-ylamino]methyl]furan-2-yl]methanol
CID 64578392
(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 43178391
4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43080551
1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine
CID 45282124
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 781905
1-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propan-2-amine
CID 63988709
5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid
CID 103233758
2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid
CID 82886272
4-N-(1,3-benzodioxol-4-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43583442
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 102830415

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine (CID 4825725) is 1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine is CCN(CC)CCCC(C)NCc1ccc(C)o1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine?
The InChIKey is YONAELDLEWCCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-17(6-2)11-7-8-13(3)16-12-15-10-9-14(4)18-15/h9-10,13,16H,5-8,11-12H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine has a molecular weight of 252.40 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 4825725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).