4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine

C17H28N2O — CID 79116107

IUPAC4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine
SMILESCCN(Cc1ccc(C2CC2C)o1)C1CCC(N)CC1
InChIInChI=1S/C17H28N2O/c1-3-19(14-6-4-13(18)5-7-14)11-15-8-9-17(20-15)16-10-12(16)2/h8-9,12-14,16H,3-7,10-11,18H2,1-2H3
InChIKeyFRSIKADRMJPNSS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.49
Rot. Bonds5

About 4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine (PubChem CID 79116107) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine
PubChem CID79116107
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine
SMILESCCN(Cc1ccc(C2CC2C)o1)C1CCC(N)CC1
InChIInChI=1S/C17H28N2O/c1-3-19(14-6-4-13(18)5-7-14)11-15-8-9-17(20-15)16-10-12(16)2/h8-9,12-14,16H,3-7,10-11,18H2,1-2H3
InChIKeyFRSIKADRMJPNSS-UHFFFAOYSA-N
XLogP3.49
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 98750432
N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide
CID 52502100
2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 97091734
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715678
1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 94160880
2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043157
N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 94163146
2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 55682514
N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 42960439
6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine
CID 51119638
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
CID 129421681
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603634

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine (CID 79116107) is 4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine is CCN(Cc1ccc(C2CC2C)o1)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine?
The InChIKey is FRSIKADRMJPNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(14-6-4-13(18)5-7-14)11-15-8-9-17(20-15)16-10-12(16)2/h8-9,12-14,16H,3-7,10-11,18H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79116107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).