N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine

C16H24FN3 — CID 105389989

IUPACN,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
SMILESCCNCc1ccnc(N(CC2CC2)CC2CC2)c1F
InChIInChI=1S/C16H24FN3/c1-2-18-9-14-7-8-19-16(15(14)17)20(10-12-3-4-12)11-13-5-6-13/h7-8,12-13,18H,2-6,9-11H2,1H3
InChIKeyMWXIZXJSCANOIJ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.96
Rot. Bonds8

About N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine

N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine (PubChem CID 105389989) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
PubChem CID105389989
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC NameN,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
SMILESCCNCc1ccnc(N(CC2CC2)CC2CC2)c1F
InChIInChI=1S/C16H24FN3/c1-2-18-9-14-7-8-19-16(15(14)17)20(10-12-3-4-12)11-13-5-6-13/h7-8,12-13,18H,2-6,9-11H2,1H3
InChIKeyMWXIZXJSCANOIJ-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105390010
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-propan-2-ylpyridin-2-amine
CID 105389642
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 105389860
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105388950
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389902
4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105390101
N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine
CID 105388874
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
N-(cyclopropylmethyl)-N-ethyl-4-(ethylaminomethyl)pyridin-2-amine
CID 63940447
N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine
CID 105390729

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine?
The IUPAC name of N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine (CID 105389989) is N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine is CCNCc1ccnc(N(CC2CC2)CC2CC2)c1F.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine?
The InChIKey is MWXIZXJSCANOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-2-18-9-14-7-8-19-16(15(14)17)20(10-12-3-4-12)11-13-5-6-13/h7-8,12-13,18H,2-6,9-11H2,1H3.
What are the key properties of N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine?
N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine has a molecular weight of 277.39 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 105389989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).