N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine

C16H29N3O — CID 81469166

IUPACN,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine
SMILESCC(C)NCc1occc1CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H29N3O/c1-12(2)17-8-16-14(6-7-20-16)10-19-9-13(3)15(11-19)18(4)5/h6-7,12-13,15,17H,8-11H2,1-5H3
InChIKeyUCRSEELWMFOUGV-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.16
Rot. Bonds6

About N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine (PubChem CID 81469166) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine
PubChem CID81469166
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine
SMILESCC(C)NCc1occc1CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H29N3O/c1-12(2)17-8-16-14(6-7-20-16)10-19-9-13(3)15(11-19)18(4)5/h6-7,12-13,15,17H,8-11H2,1-5H3
InChIKeyUCRSEELWMFOUGV-UHFFFAOYSA-N
XLogP2.16
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423418
1-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463877
N,N,4-trimethyl-1-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pyrrolidin-3-amine
CID 81464162
N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437647
N-[[3-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437907
N-[[3-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423440
N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63620979
N-[[3-[(2-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62434453
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62423949
N-[[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 102968022
N-[[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 102728475
N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62439241

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine (CID 81469166) is N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine is CC(C)NCc1occc1CN1CC(C)C(N(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine?
The InChIKey is UCRSEELWMFOUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)17-8-16-14(6-7-20-16)10-19-9-13(3)15(11-19)18(4)5/h6-7,12-13,15,17H,8-11H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine has a molecular weight of 279.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 81469166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).