N-but-2-ynyl-4-(furan-2-yl)butan-2-amine

C12H17NO — CID 62311547

IUPACN-but-2-ynyl-4-(furan-2-yl)butan-2-amine
SMILESCC#CCNC(C)CCc1ccco1
InChIInChI=1S/C12H17NO/c1-3-4-9-13-11(2)7-8-12-6-5-10-14-12/h5-6,10-11,13H,7-9H2,1-2H3
InChIKeyCKYVBGWSLBLSLT-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.21
Rot. Bonds5

About N-but-2-ynyl-4-(furan-2-yl)butan-2-amine

N-but-2-ynyl-4-(furan-2-yl)butan-2-amine (PubChem CID 62311547) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-but-2-ynyl-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-but-2-ynyl-4-(furan-2-yl)butan-2-amine
PubChem CID62311547
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-but-2-ynyl-4-(furan-2-yl)butan-2-amine
SMILESCC#CCNC(C)CCc1ccco1
InChIInChI=1S/C12H17NO/c1-3-4-9-13-11(2)7-8-12-6-5-10-14-12/h5-6,10-11,13H,7-9H2,1-2H3
InChIKeyCKYVBGWSLBLSLT-UHFFFAOYSA-N
XLogP2.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
1-(furan-2-yl)-N-methyloct-6-yn-3-amine
CID 105181452
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine
CID 62339939
(E)-4-[4-(furan-2-yl)butan-2-ylamino]but-2-enoic acid
CID 103246839
4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
CID 107911508
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
4-[4-(furan-2-yl)butan-2-ylamino]-3,3-dimethylbutan-1-ol
CID 103787562
3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004063
4-[[4-(furan-2-yl)butan-2-ylamino]methyl]benzene-1,2,3-triol
CID 107730421

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-but-2-ynyl-4-(furan-2-yl)butan-2-amine (CID 62311547) is N-but-2-ynyl-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-but-2-ynyl-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-but-2-ynyl-4-(furan-2-yl)butan-2-amine is CC#CCNC(C)CCc1ccco1.
What is the InChIKey of N-but-2-ynyl-4-(furan-2-yl)butan-2-amine?
The InChIKey is CKYVBGWSLBLSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-9-13-11(2)7-8-12-6-5-10-14-12/h5-6,10-11,13H,7-9H2,1-2H3.
What are the key properties of N-but-2-ynyl-4-(furan-2-yl)butan-2-amine?
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 62311547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).