N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine

C12H22N2O — CID 61470742

IUPACN'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
SMILESCNCCCCNC(C)Cc1ccco1
InChIInChI=1S/C12H22N2O/c1-11(10-12-6-5-9-15-12)14-8-4-3-7-13-2/h5-6,9,11,13-14H,3-4,7-8,10H2,1-2H3
InChIKeyXMXSBIPXNNTSCO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.80
Rot. Bonds8

About N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine

N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine (PubChem CID 61470742) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
PubChem CID61470742
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
SMILESCNCCCCNC(C)Cc1ccco1
InChIInChI=1S/C12H22N2O/c1-11(10-12-6-5-9-15-12)14-8-4-3-7-13-2/h5-6,9,11,13-14H,3-4,7-8,10H2,1-2H3
InChIKeyXMXSBIPXNNTSCO-UHFFFAOYSA-N
XLogP1.80
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
CID 64568053
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-1-(furan-2-yl)propan-2-amine
CID 81170029
3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol
CID 65108451
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
1-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259587
N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432860
1-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43783131
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
1-N-[1-(furan-2-yl)propan-2-yl]-4-methylpentane-1,2-diamine
CID 61470414

Frequently Asked Questions

What is the IUPAC name of N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine?
The IUPAC name of N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine (CID 61470742) is N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine?
The canonical SMILES for N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine is CNCCCCNC(C)Cc1ccco1.
What is the InChIKey of N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine?
The InChIKey is XMXSBIPXNNTSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(10-12-6-5-9-15-12)14-8-4-3-7-13-2/h5-6,9,11,13-14H,3-4,7-8,10H2,1-2H3.
What are the key properties of N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine?
N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.80, 8 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)propan-2-yl]-N-methylbutane-1,4-diamine is sourced from PubChem (CID 61470742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).