N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine

C18H34FN3 — CID 135244663

IUPACN,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine
SMILESC=C(NC[C@H](C)CC1=C(NCC)N(C)CC(CC)C1)[C@@H](C)F
InChIInChI=1S/C18H34FN3/c1-7-16-10-17(18(20-8-2)22(6)12-16)9-13(3)11-21-15(5)14(4)19/h13-14,16,20-21H,5,7-12H2,1-4,6H3/t13-,14-,16?/m1/s1
InChIKeyMESXTMVTHKQXRT-UIDSBSESSA-N
MW311.49 g/mol
LogP3.66
Rot. Bonds9

About N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine

N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine (PubChem CID 135244663) has the molecular formula C18H34FN3 and a molecular weight of 311.49 g/mol. Its IUPAC name is N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine.

Molecular Properties

Compound NameN,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine
PubChem CID135244663
Molecular FormulaC18H34FN3
Molecular Weight311.49 g/mol
Exact Mass311.27
IUPAC NameN,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine
SMILESC=C(NC[C@H](C)CC1=C(NCC)N(C)CC(CC)C1)[C@@H](C)F
InChIInChI=1S/C18H34FN3/c1-7-16-10-17(18(20-8-2)22(6)12-16)9-13(3)11-21-15(5)14(4)19/h13-14,16,20-21H,5,7-12H2,1-4,6H3/t13-,14-,16?/m1/s1
InChIKeyMESXTMVTHKQXRT-UIDSBSESSA-N
XLogP3.66
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine?
The IUPAC name of N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine (CID 135244663) is N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine.
What is the SMILES notation for N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine?
The canonical SMILES for N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine is C=C(NC[C@H](C)CC1=C(NCC)N(C)CC(CC)C1)[C@@H](C)F.
What is the InChIKey of N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine?
The InChIKey is MESXTMVTHKQXRT-UIDSBSESSA-N. The full InChI is InChI=1S/C18H34FN3/c1-7-16-10-17(18(20-8-2)22(6)12-16)9-13(3)11-21-15(5)14(4)19/h13-14,16,20-21H,5,7-12H2,1-4,6H3/t13-,14-,16?/m1/s1.
What are the key properties of N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine?
N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine has a molecular weight of 311.49 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-5-[(2R)-3-[[(3R)-3-fluorobut-1-en-2-yl]amino]-2-methylpropyl]-1-methyl-3,4-dihydro-2H-pyridin-6-amine is sourced from PubChem (CID 135244663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).