N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine

C16H23N3O — CID 62288133

IUPACN-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCCN(Cc1ccco1)c1ccnc(CNC(C)C)c1
InChIInChI=1S/C16H23N3O/c1-4-19(12-16-6-5-9-20-16)15-7-8-17-14(10-15)11-18-13(2)3/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyUTLVRRQSQOJREO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.20
Rot. Bonds7

About N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine

N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 62288133) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID62288133
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCCN(Cc1ccco1)c1ccnc(CNC(C)C)c1
InChIInChI=1S/C16H23N3O/c1-4-19(12-16-6-5-9-20-16)15-7-8-17-14(10-15)11-18-13(2)3/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyUTLVRRQSQOJREO-UHFFFAOYSA-N
XLogP3.20
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine
CID 62288315
[4-[ethyl(furan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61423124
N-ethyl-N-(furan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379760
N-ethyl-N-(2-methylprop-2-enyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62279471
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81146652
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114848827
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62287774
N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62293187
N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 115416612
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63060085
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-4-amine
CID 62282233
N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62280879

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 62288133) is N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine is CCN(Cc1ccco1)c1ccnc(CNC(C)C)c1.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is UTLVRRQSQOJREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19(12-16-6-5-9-20-16)15-7-8-17-14(10-15)11-18-13(2)3/h5-10,13,18H,4,11-12H2,1-3H3.
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 62288133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).