N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine

C16H30N2O — CID 62426847

IUPACN,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
SMILESCC(C)NCc1occc1CN(C)C(C)C(C)(C)C
InChIInChI=1S/C16H30N2O/c1-12(2)17-10-15-14(8-9-19-15)11-18(7)13(3)16(4,5)6/h8-9,12-13,17H,10-11H2,1-7H3
InChIKeyRICROOKLCGOUIB-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.64
Rot. Bonds6

About N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine

N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine (PubChem CID 62426847) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
PubChem CID62426847
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
SMILESCC(C)NCc1occc1CN(C)C(C)C(C)(C)C
InChIInChI=1S/C16H30N2O/c1-12(2)17-10-15-14(8-9-19-15)11-18(7)13(3)16(4,5)6/h8-9,12-13,17H,10-11H2,1-7H3
InChIKeyRICROOKLCGOUIB-UHFFFAOYSA-N
XLogP3.64
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62419285
N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline
CID 62462156
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421744
N-(cyclopropylmethyl)-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propan-1-amine
CID 55073889
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 63699522
N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
CID 66275759
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420559
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431569
N-[[2-[[cyclopropylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62426746
N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
CID 106886715
N-[[3-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423440
N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62420998

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine (CID 62426847) is N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine is CC(C)NCc1occc1CN(C)C(C)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine?
The InChIKey is RICROOKLCGOUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)17-10-15-14(8-9-19-15)11-18(7)13(3)16(4,5)6/h8-9,12-13,17H,10-11H2,1-7H3.
What are the key properties of N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine?
N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 62426847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).