1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine

C15H27N3O — CID 62655967

IUPAC1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCN1CCC(CNCC(c2ccco2)N(C)C)CC1
InChIInChI=1S/C15H27N3O/c1-17(2)14(15-5-4-10-19-15)12-16-11-13-6-8-18(3)9-7-13/h4-5,10,13-14,16H,6-9,11-12H2,1-3H3
InChIKeyFTDCVUKMHMSNNI-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.81
Rot. Bonds6

About 1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine

1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine (PubChem CID 62655967) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
PubChem CID62655967
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCN1CCC(CNCC(c2ccco2)N(C)C)CC1
InChIInChI=1S/C15H27N3O/c1-17(2)14(15-5-4-10-19-15)12-16-11-13-6-8-18(3)9-7-13/h4-5,10,13-14,16H,6-9,11-12H2,1-3H3
InChIKeyFTDCVUKMHMSNNI-UHFFFAOYSA-N
XLogP1.81
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide
CID 94171912
(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81403301
1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63233414
1-(cyclopropylmethyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111869212
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 122566101
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
1-(furan-2-yl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910521
N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 61323901
3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
CID 98231510
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316815

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine (CID 62655967) is 1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine is CN1CCC(CNCC(c2ccco2)N(C)C)CC1.
What is the InChIKey of 1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is FTDCVUKMHMSNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-17(2)14(15-5-4-10-19-15)12-16-11-13-6-8-18(3)9-7-13/h4-5,10,13-14,16H,6-9,11-12H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62655967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).