N-butyl-4-(furan-2-yl)butan-2-amine

C12H21NO — CID 43182419

IUPACN-butyl-4-(furan-2-yl)butan-2-amine
SMILESCCCCNC(C)CCc1ccco1
InChIInChI=1S/C12H21NO/c1-3-4-9-13-11(2)7-8-12-6-5-10-14-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3
InChIKeyWCRSNQGETOFNQD-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.99
Rot. Bonds7

About N-butyl-4-(furan-2-yl)butan-2-amine

N-butyl-4-(furan-2-yl)butan-2-amine (PubChem CID 43182419) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-butyl-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-butyl-4-(furan-2-yl)butan-2-amine
PubChem CID43182419
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-butyl-4-(furan-2-yl)butan-2-amine
SMILESCCCCNC(C)CCc1ccco1
InChIInChI=1S/C12H21NO/c1-3-4-9-13-11(2)7-8-12-6-5-10-14-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3
InChIKeyWCRSNQGETOFNQD-UHFFFAOYSA-N
XLogP2.99
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine
CID 43478908
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
CID 61249924
4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103178791
4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine
CID 43478949
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 62577157
1-(furan-2-yl)-N-propyldodecan-3-amine
CID 105124522
N'-cyclopropyl-N-[4-(furan-2-yl)butan-2-yl]-N'-methylethane-1,2-diamine
CID 55142379

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-butyl-4-(furan-2-yl)butan-2-amine (CID 43182419) is N-butyl-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-butyl-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-butyl-4-(furan-2-yl)butan-2-amine is CCCCNC(C)CCc1ccco1.
What is the InChIKey of N-butyl-4-(furan-2-yl)butan-2-amine?
The InChIKey is WCRSNQGETOFNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-4-9-13-11(2)7-8-12-6-5-10-14-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3.
What are the key properties of N-butyl-4-(furan-2-yl)butan-2-amine?
N-butyl-4-(furan-2-yl)butan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 43182419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).