N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C16H23N3O — CID 80630765

IUPACN-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1cc(CNC(C)C)cnc1N(C)Cc1ccoc1
InChIInChI=1S/C16H23N3O/c1-12(2)17-8-15-7-13(3)16(18-9-15)19(4)10-14-5-6-20-11-14/h5-7,9,11-12,17H,8,10H2,1-4H3
InChIKeyGMHOLBPOEBROBZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.12
Rot. Bonds6

About N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 80630765) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID80630765
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1cc(CNC(C)C)cnc1N(C)Cc1ccoc1
InChIInChI=1S/C16H23N3O/c1-12(2)17-8-15-7-13(3)16(18-9-15)19(4)10-14-5-6-20-11-14/h5-7,9,11-12,17H,8,10H2,1-4H3
InChIKeyGMHOLBPOEBROBZ-UHFFFAOYSA-N
XLogP3.12
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine
CID 80634374
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631429
3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294209
N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80635331
3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
CID 106876742
N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80632647
[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61422350
N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631971
3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62281535
N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631433
N,3-dimethyl-5-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
CID 80630644
N,3-dimethyl-5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630432

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 80630765) is N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is Cc1cc(CNC(C)C)cnc1N(C)Cc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is GMHOLBPOEBROBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)17-8-15-7-13(3)16(18-9-15)19(4)10-14-5-6-20-11-14/h5-7,9,11-12,17H,8,10H2,1-4H3.
What are the key properties of N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 80630765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).